Preparation of A Coal Conversion Systems Technical Data Book

FE-2286-60
Distribution Category UC-90
PREPARATION OF A
COAL CONVERSION SYSTEMS
TECHNICAL DATA BOOK
Project 61003 Quarterly Report
For the Period November 1, 1979, Through January 31, 1980
Prepared by
Institute of Gas Technology
IIT Center, 3424 S. State Street
Chicago, Illinois 60616
Date Published — August 1980
Prepared for the
UNITED STATES DEPARTMENT OF ENERGY

Under Contract No. DE-AC01-76ET10255
document IS UNLMUT: ^4
DISCLAIMER
This report was prepared as an account of work sponsored by an

agency of the United States Government. Neither the United States
Government nor any agency thereof, nor any of their employees,
makes any warranty, express or implied, or assumes any legal liability
or responsibility for the accuracy, completeness, or usefulness of any
information, apparatus, product, or process disclosed, or represents
that its use would not infringe privately owned rights. Reference
herein to any specific commercial product, process, or service by
trade name, trademark, manufacturer, or otherwise does not
necessarily constitute or imply its endorsement, recommendation, or
favoring by the United States Government or any agency thereof. The
views and opinions of authors expressed herein do not necessarily
state or reflect those of the United States Government or any agency
thereof.
D IS C L A IM E R
Portions of this document may be illegible in electronic image

products. Images are produced from the best available
original document.
NOTICE TO READERS
Any comments about the material presented in this report or suggestions

about the format and the content of the Data Book, as well as the priorities
of the needed data are most welcome. Please direct any communications to Dr
A1 Talwalkar of the Institute of Gas Technology (312-567-3755) or Dr. P.R.
Hsia of the Department of Energy (301-353-4491).
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ABSTRACT
Comparison results of evaluations on the SURFIMP program (developed by

the University of California) on experimental quaternary data on NH^-CO^-
H2S-H2O system are presented. Also, the salting-out coefficients of gases —
e.g., CO2, NHg and l^S — by ammonium carbamate have been correlated and
given as a function of the temperature in this report.
Physical and thermodynamic properties of Furan and Tetrahydrofuran are

presented both in SI and British units. Some of the properties of Furan and
Tetrahydrofuran, such as surface tension, dielectric constants and thermo-
dyyamic properties of saturated liquid will be reported in the next Quarterly
Report.
The heating values and compositions of coal and char analyzed at IGT
for the HYGAS program have been correlated. The standard deviation of the
prediction, using the resulting correlation, is about 85 Btu/lb.
Results from the literature on the carbon-carbon dioxide reaction rates

have been collected, evaluated and tabulated in this report. The forms of
carbon used In the reaction studies included: char, coke, graphite, carbon
black, etc. The reaction temperature and pressure ranges from 700° to 1600°C
and from subatmospheric pressure to 36 atmospheres, respectively.
Preliminary, simulation results of moving bed gasification are

presented in graphical form in this report. The effects of temperature,
pressure, coal feed rates, and steam/air ratios on carbon conversion are
presented in this report.
Literature on the design of the standpipe operation in the packed-bed
flow regime have been reviewed. Various pressure drop correlations for the
standpipe operation were evaluated and are discussed in this report.
Coal-solvent slurry heating data from Solvent Refined Coal (SRC) pilot
plant runs in Wilsonville, Alabama were reanalyzed. The heat transfer
coefficients calculated from Sieder-Tate and Crewe-Simons correlations were
compared to the experimental values. Also, the viscosity, back-calculated
from Sieder-Tate and Crewe-Simons correlations, was compared with that given
by the mathematical model based on the SRC batch autoclave data.

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Atmospheric fluidized bed boiler, pressurized fluidized bed boiler,

combined open gas-steam turbine cycle with integrated low-Btu gasifier,
combined gas-steam turbine cycle using coal derived liquid fuel-potassium
topping/steam bottoming cycle-pressurized fluidized bed boiler, and closed
cycle gas turbine-helium/organic bottoming-atmospheric fluidized bed boiler
were analyzed using thermodynamic availability functions. The availability
efficiency and effectiveness of these processes are reported.
An attrition mathematical model which is used for predicting the changes

in particle size distritubion in a fluidized bed reactor has been proposed.
Results of the comparison between experimental and calculated size distribu
tions for Husly lignite char and Siderite ore are presented.
An introductory discussion on the cost estimates for coal conversion

plants is reported. The discussion includes preparation of cost estimates,
and the use of cost indices.
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TABLE OF CONTENTS
Page
OBJECTIVE AND SCOPE OF WORK xvii

SUMMARY OF PROGRESS TO DATE xtx
I. PROPERTIES OF PROCESS MATERIALS 1-1
A. Work Accomplished 1-1
1.1. Vapor-Liquid Equilibrium in the NH2-CO2-H2S-H2O System 1-1
a. Test of SURFIMP Program on Quaternary Data 1-1
b. Preparation of a Paper 1-1
c. Salting Out of Gases by Ammonium Carbamate 1-1
ESTIMATION OF THE PARTIAL MOLAR VOLUME AT INFINITE DILUTION (V°) 1-6
OF AMMONIUM CARBAMATE AT VARIOUS TEMPERATURES by Frank J. Millero
1.2. Pure Component Properties - SI Units 1-11
a. Introduction 1-11
b. Physical Properties 1-14
1) Basic Properties 1-14
2) Properties at 25°C 1-15
3) Density (C^ Compounds) 1-17

4) Molar Volume 1-19
5) Vapor Pressure (C^ Compounds) 1-20
6) Enthalpy of Vaporization (C^ Compounds) 1-24
7) Viscosity (C^ Compounds) 1-26
8) Surface Tension (C^ Compounds) 1-28
9) Dielectric Constant (C^ Compounds) 1-30
c. Thermodynamic Properties of Furan 1-32
1) Saturated Liquid 1-32
2) Ideal Gas Thermodynamic Properties 1-34
3) Second Virial Coefficient and itsTemperature 1-35
Derivatives Correlation
4) Real Gas Properties 1-38
d. Thermodynamic Properties of Tetrahydrofuran 1-44
3) Second Virial Coefficient and its Temperature 1-47
Derivatives Correlation - Tetrahydrofuran
4) Real Gas Properties 1-50
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TABLE OF CONTENTS, Continued
Page
1.3. Pure Component Properties - English Units 1-57

a. Introduction 1-57
b. Physical Properties 1-58
1) Basic Properties 1-58
2) Properties at 77°F 1-59

3) Density (C^ Compounds) 1-61
4) Molar Volume (C^Compounds) 1-64
5) Vapor Pressure (C^ Compounds) 1-66
6) Enthalpy of Vaporization (C^ Compounds) 1-72
7) Viscosity (C^ Compounds) 1-77
8) Surface Tension (C^ Compounds) 1-80
9) Dielectric Constant (C^ Compounds) 1-83
c. Thermodynamic Properties of Furan 1-86
3) Second Virial Coefficient and its 1-90
Temperature Derivatives Correlation - Furan
d. Thermodynamic Properties of Tetrahydrofuran 1-93
3) Second Virial Coefficient and its Temperature 1-97
1.4. Heating Value of Coal 1-101
B. Work Forecast 1-107
II. SOLIDS STORAGE, HANDLING, PREPARATION AND PRETREATMENT II-l

A. Work Accomplished II-l
B. Work Forecast II-l
III. CONVERSION FUNDAMENTALS III-l

A. Work Accomplished III-l
111.1. Carbon-Carbon Dioxide Reaction III-l
111.2. Moving Bed Gasifier ComputerSimulation Model III-7
B. Work Forecast III-15
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Page
IV. DESIGN PROCEDURES IV-1

A. Work Accomplished IV-1
IV. 1. Gas-Solid Transport IV-1
a. Dense Solids-Gas Down Flow IV-1
b. Standpipe Design in Packed-Bed Flow Regime IV-1
IV. 2. Coal-Solvent Slurry Heating IV-9
a. Experimental Temperature Profiles IV-9
b. Physical Properties of Slurry IV-14
1) Viscosity IV-14
2) Thermal Conductivity IV-17
c. Heat Flux IV-17
d. Apparent Heat Transfer Coefficient IV-17
IV.3. Thermodynamic Analysis IV-21
a. Concept of Availability IV-21
b. Reference State IV-22
c. Availability Calculations IV-24
d. Applications IV-27
1) Advanced Steam Cycle - Atmospheric Fluidized IV-27
Bed Boiler
2) Results of Thermodynamic Analysis IV-27
3) Advanced Steam Cycle - Pressurized Fluidized IV-33
Bed Boiler
A) Combined Open Gas-Steam Turbine Cycle with IV-3 4
Integrated Low-Btu Gasifier/General Electric
Corporation
5) Combined Gas-Steam Turbine Cycle with Integrated IV-35
Low-Btu Gasifier/Westinghouse Corporation
6) Combined Gas-Steam Turbine Cycle Using Coal IV-37
Derived Liquid Fuel/Westinghouse Corporation
7) Potassium Topping/Steam Bottoming Cycle-Pressurized IV-39
Fluidized Bed Boiler
8) Closed Cycle Gas Turbine - Helium/Organic IV-40
Bottoming - Atmospheric Fluidized Bed Boiler
e. Discussion IV-41
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page
IV.4. Attrition IV-45

a. Introduction IV-45
1) Mathematical Model of Attrition IV-46
2) Evaluation of the Model IV-52
3) Conclusions IV-52
Nomenclature IV-58
B. Work Forecast IV-59
V. SUPPORTING PROCESSES V-l
A. Work Accomplished V-l
B. Work Forecast V-l
VI. MISCELLANEOUS PRODUCTS VI-1
VII. MATERIALS OF CONSTRUCTION VII-1
A. Work Accomplished VII-1
B. Work Forecast VII-1
VIII. EQUIPMENT SPECIFICATIONS VIII-1
IX. COST DATA AND COSTING PROCEDURES IX-1
A. Work Accomplished IX-1
1. Preparation of Cost Estimates IX-1
a. Introduction IX-1
b. Types of Estimates IX-1
c. Making the Cost Estimate IX-2
2. The Use of Cost Indexes IX-8
a. Popular Indexes for ProcessIndustries IX-8
1) Nelson Refinery (Inflation) Index IX-9
2) Chemical Engineering Index IX-9
3) Marshall and Swift Index IX-13
4) Engineering News Record IX-13
b. Effect of Productivity on Cost Index IX-14
c. Comparison of Cost Indexes IX-15
B. Work Forecast IX-15

X. PROCESS FLOW SHEETS X-l
A. Work Accomplished X-l
B. Work Forecast X-l
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Page
DATA BOOK CONSULTANTS DL-1
xi

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LIST OF FIGURES
Figure No. Page
1 Project Plan (November 1, 1979 - October 31, 1980) xirv

and Progress Report as of January 1980
1.3- 1 Densities of Furan and Tetrahydrofuran 1-63
1.3- 2 Molar Volumes of Furan and Tetrahydrofuran 1-65
1.3- 3 Vapor Pressure of Furan and Tetrahydrofuran 1-70
1.3- 4 Vapor Pressure of Furan and Tetrahydrofuran 1-71
1.3- 5 Enthalpy of Vaporization of Furan and Tetrahydrofuran 1-76

1.3- 6 Viscosity of Furan and Tetrahydrofuran 1-78
1.3- 7 Surface Tension of Furan 1-82
1.3- 8 Dielectric Constant of Tetrahydrofuran 1-85
111.1-1 Reaction Rate of Carbon-Carbon Dioxide as a
Function of Temperature III-2
111.2- 1 Model of Moving-Bed Coal Gasifier III-8
111.2- 2 Effect of Feed Rate on Conversion III-ll
111.2- 3 Effect of Pressure on Conversion III-12
111.2- 4 Effect of Wall Temperature on Conversion III-13
111.2- 5 Conversion vs Reactor Length in Conjunction III-14
with Feed Rate as a Parameter
IV.2-1 Calculated Temperature Profile Along Preheater IV-10
Tube Length (Second Order Polynomical Interpolation
of Coil Skin and Bulk Fluid Temperatures)
IV.2-2 Calculated Temperature Profile Along Preheater IV-11
Tube Length (Third Order Polynomical Interpolation
for Coil Skin Temperature and Fifth Order Polynomial
Interpolation for Bulk Fluid Temperature)
IV.2-3 Overall Heat Flux Along Preheater Tube Length IV-12
(Using Interpolated Temperatures in Figure IV.2-1)
IV.2-4 Overall Heat Flux Along Preheater Tube Length IV-13
(Using Interpolated Temperature Values in Figure IV.2-2)
IV.2-5 Viscosity Profile Along Preheater Tube Length (Run 64) IV-15
IV.2-6 Viscosity Profile Along Preheater Tube Length (Run 88) IV-16
IV.2-7 Apparent Film Heat Transfer Coefficients Along IV-19
Preheated Tube (Run 64)
IV.2-8 Apparent Film Heat Transfer Coefficients Along IV-20
Preheater Tube (Run 88)
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LIST OF FIGURES, Continued
Figure No. < Page
IV.3-1 Simplified Schematic Diagram of Advanced Steam IV-28

Cycle-Atmospheric Fluidized Bed
IV.3-2 Simplified Schematic Diagram for Advanced Steam IV-34
Cycle-Pressurized Fluidized Bed
IV.3-3 Simplified Schematic Diagram of Open Cycle Gas IV-35
Turbine/Steam Turbine Cycle Combined-Air Cooled-LBtu
Gasifier
IV.3-4 Simplified Schematic Diagram of Open Cycle Gas IV-36
Turbine - LBtu - Gasifier/Westinghouse Corporation
IV.3-5 Simplified Schematic Diagram of Combined Gas-Steam IV-38
Turbine Cycle Using Coal Derived Liquid Fuel/Westinghouse
IV.3-6 Simplified Schematic Diagram of Potassium Topping Cycle IV-39
IV.3-7 Simplified Schematic Diagram of Closed Cycle Gas IV-40
Turbine - Organic Bottoming
IV.3-8 Overall Efficiencies vs "Boiler Unit" Effectiveness (e^) IV-43
of Seven (7) System Analyzed
IV.4-1 The Correlation Factor as a Function of Reynolds IV-55
Number for Jet Flow at the Orifice
IV.4-2 Comparison Between the Predicted and Measured Bed IV-56
Weights During the Attrition of Husky Lignite Char
IV.4-3 Comparison Between the Predicted and Measured Bed IV-57
Weights During the Attrition of Siderite Iron Ore
IX.1-1 Cost of Oxygen and Hydrogen Plants ISBL Costs - No IX-3
Utilities or Offsites
IX.1-2 Effect of Average Unit Cost on Installation Factor IX-6
IX.1-3 Multiplying Factors for Obtaining Installed Costs IX-7
IX.1-4 Comparison of Cost Indexes on a Common Basis IX-16
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LIST OF TABLES
Table No. Page
1 Program Plan for the Data Book (November 1, 1979 xxiii

to October 31, 1980)
1.1-1 Comparison of Calculated Partial Pressures of 1-2
NH3, CO2 and H2S with IGT Data on the Systems
NH3-CO2-H2S-H2O and NH3-CO2-H2O at 60° C
NH3, CO2 and H2S with Experimental Results by
Badger and Silver for NH3-CO2-H2S-H2O system
at 20° C
NH3, CO2 and H2S with Experimental Results by
Cardon and Wilson for NH3-CO2-H2S system
1.1-4 Summary of Test of SURFIMP on NH2-CO2-H2S-H2O Data 1-5
1.1-5 Conventional Values of^ V° for Some Ions in Water at 1-7
Various Temperature, V° (conv.)
1.1-6 Values of V° (t°C) — V° (25°C) for Some Anions 1-9
1.1-7 Estimated Values of V° for Ammonium Ion, Carbamate 1-9
Ion and Ammonium Carbamate
1.2-1 Basic Properties 1-14
1.2-2 Properties at 25°C 1-15
1.2-3 Density — C^ Compounds 1-18

1.2-4 Molar Volume — C^ Compounds 1-19
1.2-5 Vapor Pressure — C^ Compounds 1-22
1.2-6 Enthalpy of Vaporization — C^ Compounds 1-25
1.2-7 Viscosity of Liquids — C^ Compounds 1-27
1.2-8 Surface Tension — C^ Compounds 1-29
1.2-9 Dielectric Constant — C^ Compounds 1-31
1.2-10 Thermodynamic Properties of Condensed Phases — Furan 1-33

1.2-11 Ideal Gas Thermodynamic Properties — Furan 1-34
1.2-12 Second Virial Coefficient and its Temperature 1-36
Derivatives — Furan
1.2-13 CompressibiTity Factor, Fugacity Coefficient, and 1-40
Residual Thermodynamic Functions of the Real
Fluid — Furan
1.2-14 Thermodynamic Properties of Condensed Phases — 1-45
Tetrahydrofuran
1.2-15 Ideal Gas Thermodynamic Properties — Tetrahydrofuran 1-46
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LIST OF TABLES, Continued
Table No. Page

Derivatives — Tetrahydrofuran
1.2-17 Compressibility Factor, Fugacity Coefficient, and 1-52
Residual Thermodynamic Functions of the Real
Fluid — Tetrahydrofuran
1.3-1 Basic Properties 1-58
1.3-2 Properties at 77°F 1-59
1.3-3 Density — C^ Compounds 1-62
1.3-4 Molar Volume — C, Compounds 1-64
1.3-5 Vapor Pressure — C^ Compounds 1-68
1.3-6 Enthalpy of Vaporization — C^ Compounds 1-74
1.3-7 Viscosity of Liquids — C^ Compounds 1-79
1.3-8 Surface Tension — C^ Compounds 1-81
1.3-9 Dielectric Constant — C^ Compounds 1-84
1.3-10 Thermodynamic Properties of Condensed Phases — Furan 1-87

1.3-11 Ideal Gas Thermodynamic Properties — Furan 1-88
1.3-12 Second Virial Coefficient and Its Temperature 1-91

Derivatives — Furan
1.3-13 Thermodynamic Properties of Condensed 1-94
Phases — Tetrahydrofuran
1.3-14 Ideal Gas Thermodynamic Properties — Tetrahydrofuran 1-95

Derivatives — Tetrahydrofuran
1.4-1 Test on HYGAS® Routine Samples of the Data Book Formula 1-102
for Calculation of Heating Value
1.4-2 Summary of HYGAS® Repeatability Data 1-118
III.1-1 Intrinsic Reaction Rate for Carbon-Carbon Dioxide III-3

III.2-1 Simulation Results and Comparisons III-9
IV.1-1 Summary of the Experimental Work on Pack-Bed-Flow in IV-2
Bottom Constrained Standpipes
IV.1-2 Summary of Published Correlations on the Pressure Drop IV-3
for Packed-Bed Flow in Standpipes
IV.3-1 Definition of Reference Environment and Standpipe State IV-2 3
IV.3-2 Gas Phase Enthalpies and Availabilities at 298.15 K IV-2 5
and 0.101325 MPa (1 atm) Based on the Reference
Environment Defined in Table IV.3-1
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LIST OF TABLES, Continued
Table No. Page
IV.3-3 Enthalpy and Availability Flow Rates for Significant IV-29

Streams in Figure IV.3-1
IV.3-4 Thermal Efficiencies, Availability Efficiencies, Heat IV-31
Losses and Availability Consumptions in the Major
Pieces of Equipment used in the Advanced Steam Cycle —
Atmospheric Fluidized Bed
IV.3-5 System Efficiency Comparison IV-42
IV.4-1 Comparison Between the Measured and Predicted Particle IV-53
Size Distributions in the Bed Residue
IV.4-2 Comparison Between the Measured and Predicted Particle IV-54
Size Distribution in the Bed Residue of Siderite Ore
IX.1-1 Nelson Cost Indexes IX-10
IX.1-2 Chemical Engineering Cost Indexes IV-11
xv i

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OBJECTIVE AND SCOPE OF WORK
The objective of this work is to provide a single, comprehensive source

of data on coal conversion systems. This compilation shall be titled.
The Coal Conversion Systems Technical Data Book and shall provide up-to-date
data and information for the research, development, design, engineering, and
construction of coal conversion processes and/or plants. Other concurrent
objectives are to identify those areas where data are required and to suggest
research programs that will provide the required data.
The data base will include:
1. Work by Department of Energy (DOE) contractors in coal conversion

2. Pertinent data and correlations in the published literature
3. Pertinent data and correlations from unpublished sources within the
government, industrial, and private sectors
A. Data and correlations performed by computer analysis, where applicable,
to fill gaps in existing data.
Material will be selected, evaluated, and prepared for publication by

Institute of Gas Technology (IGT) technical staff members, in consultation with
nationally recognized authorities retained by IGT.
xvii
I N S T I T U T E O F GAS TECHNOLOGY
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61003
SUMMARY OF PROGRESS TO DATE
The work on "Preparation of Coal Conversion Systems Technical Data

Book," was continued under the Contract No. E(49-18)-2286 (new Contract
No. EX-76-C-01-2286) from May 1, 1976. A work plan for the period November 1,
1979 to October 31, 1980, developed in consultation with DOE personnel and
the Special Consultants to the program, is given in Table 1. Figure 1 gives
the breakdown of man-hours spent on each task as of January 31, 1980.
The following areas were covered under various tasks during the period
May 1, 1976 to January 31, 1980.
Task I. Properties of Process Materials

• Vapor-liquid equilibrium3*^
• Solubility of gases in hydrocarbon liquids3’*5
• Solubility of gases in water3

a
• Solubility ofoils in water (one liquid phase)
• Solubility of water in oils (one liquid phase)3
• Water-oil systems (two liquid phases)3’*5
• K-values for H-coal liquids*5
• Vapor-liquid equilibria in the NH3-H2S-C02-H20system3’b’c’d
• True density of low-rank coals and their chars*5
• Particle density of coal and char

• Bulk density of coal3
• Calorific value of coal3’*5’0’**
• Size consist of coal from various mines

• Influence of mining techniques on size consist and vashability
of coal3
• Trace elements in coal3’*5
• Enthalpy of coal liquids and their distillatesb*c*d
• Combustion characteristics of SRCC,d
• Properties of coal liquids3’*5
• Basic properties of pure components*5’*^
• Properties of pure components as functions of T & P

• Phenol3
• 0-M-P cresols3
• Four-ringed aromatic hydrocarbons3
xix
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.
• T,
Benzene t>
• Decalinsc
Q
• Xylenols
d
• Naphthalene
• Tetralin^
Furan
Tetrahydrofuran
c
Slag viscosity
Task II. Solids Storage. Handling, Preparation, Pretreatment, and Feeding
Coal sampling, storage, and conveyance ’

Coal preparation8* ,e
Coal classification, dewatering, briquetting6
Sulfur Reduction in coal by washing

£
Pulverization and storage of solvent refined coal
Coal cleaning: theory and equipment^*
Chemical treatment of coal6

rask III. Conversion Fundamentals
3
Steam-air gasification of char in a fluidized bed
Pyrolysisa,b,C
The fate of trace metals in coal conversion processesa,b
3 l)
Fluidized-bed combustion: sulfation and regeneration of acceptor *
Fluidized-bed combustion: synthetic sorbentsb
Equilibrium constants of coal conversion reactions^
c d f
Fixed-bed gasification of coal ’ ’
Carbon-carbon dioxide reaction^
Task IV. Design Procedures
Fluidization
3
• Revision of the empirical bed-expansion correlation
3
• Solids mixing in fluidized beds
3
• Initial bubble-diameter corrections
• Bed-expansion correlations from two-phase theory and various
bubble-growth correlations
3
• Fluidized-bed combustion: air-distributor design
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I N S T I T U T E 0 F GAS TECHNOLOGY
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Solids transport
• Generalized phase diagrams for two phase, fluid-particle
systems3
• Evaluation of choking velocity correlations

Attention^
• Pressure-drop correlations in vertical, upflow solids transport

in lean-phase3’ ,C
• Gas-solids upflow in inclined pipes3
• Gas-solids downflow: standpipe design in fluidized-flow and

packed-bed regime3’^
Gas-solids flow in horizontal pipes

• Saltation velocity correlations^3
• Pressure-drop correlations^3
£
• Gas-solids transport in dense phase
Coal solvent slurry heating
Estimation of physical and transport properties of slurries3
Mathematical model for slurry viscosity behavior in preheaters*
Heat transfer correlations3*^3
• Slurry classification and pressure-drop calculations

• Comparison with experimental data on SRC, Wilsonville
preheater^’c’f
• Comparison with experimental data on SRC, pilot plant at

Tacoma, WAC
• Pressure-drop calculations in SRC preheater at Wilsonville, AL
Heat transfer in fluidized beds
Task V. Supporting Processes

Environmental regulations3’^3
g
Stack-gas cleaning processes
c
Wastewater treatment
c
Hydrocarbon incineration
c
Sulfur removal
xxi
I N s titute of gas technology
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Task VII. Materials of Construction
Experience of HYGAS pilot plant8
Outline of section on properties of metals and alloys

Evaluation of performance of refractory materials in condensing
acid-gas atmosphere®
Comparative data for metals and alloys in coal conversion and
other related environments
• Laboratory data**
• Pilot Plant data^
Aqueous corrosion data for metal and alloys

Mechanical properties data in air and in coal gasification
environments for selected alloysc
Task IX. Cost Data and Costing Procedures
8 Appears in the annual report for May 1, 1976 through April 30, 1977.
k Appears in the annual report for May 1, 1977 through April 30, 1978.
C Appears in the annual report for May 1, 1978 through April 30, 1979.
(In preparation).
d
Appears in the quarterly report for May 1, 1979 through July 31, 1979.
8 Appears in this quarterly report for August 1, 1979 through October 31,
1979*
^ Appears in this quarterly report for November 1,1979 through January 31,
1980.
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Table 1. PROGRAM PLAN FOR THE DATA BOOK

(November 1, 1979 to October 31, 1980)
Man- •Hours
Proposed
Task I. PROPERTIES OF PROCESS MATERIALS IGT Subcontract
A. Properties of Coal, Char, Ash and Slag 640

B. Properties of Liquids and Gases
1. Pure Component Properties
740 1,216
2. Pure Component Properties as a f (T,P)
3. Properties of Mixtures 320 480
4. Phase Equilibrium Data 960

C. Properties of Related Processing Material
2,660 1,696
Task II. SOLIDS STORAGE, HANDLING. PREPARATION
AND FEEDING
A. Storage and Handling 40
B. Preparation 80
C. Feeding
D. Weighing and Metering of Solids
E. Chemical Treatment of Coal 40
160
Task III. CONVERSION FUNDAMENTALS
A. Gasification
1. Pyrolysis 160
2. Fluidized-Bed Gasification
3. Entrained Gasification 480
4. Fixed-Bed Gasification 589
5. Other Gasification Systems (Molton,
Spouted, Ash Agglomerating and Catalytic
B. Liquefaction
C. Pretreatment
D. Fluid-Bed Combustion 320
E. Advanced Power Generation
F. Combined Cycle
G. Chemical Equilibrium and Heats of Reaction
1,549
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Table 1. (Cent.), PROGRAM PLAN FOR THE DATA BOOK

(November 1, 1979 to October 31, 1980)
Man-Hours
Proposed
Task IV. DESIGN PROCEDURES IGT_____ Subcontract
A. Conversion Tables and Constants
B. Fluidization 320
C. Fluid Flow 240
D. Heat Transfer 664
E. Separations
F. Reactor Design (Integrated)
G. Irreversible Work Analysis
H. Mechanical Design of Equipment
1,224
Task V. SUPPORTING PROCESSES
A. Gas Treating
B. Gas Purification 320
C. Shift Conversion
D. Methanation
E. Hydroprocessing
F. Environmental Control, Health and Safety 352
G. Hydrogen Production
H. Cryogenic Separation 160
832
Task VI. MISCELLANEOUS PRODUCTS 300
Task VII. MATERIALS OF CONSTRUCTION
Task VIII. EQUIPMENT SPECIFICATIONS (Applications)
Task IX. COST DATA & COSTING PROCEDURES 49
Task X. PROCESS FLOW SHEETS 504
Task XI. EDITING, DRAFTING AND SUPERVISION 4,250
11,498 1,996
xxiv
INST ITUTE OF GAS TECHNOLOGY
1/80 61003
5000 -i
4500 -
TOTAL MAN-HOURS
Total Actual Budgeted

Contract To Date To Date
4000 - 11,498 3,777 3,334
□ Budgeted Man-Hours
3500 - ■ Completed Man-Hours
H Proposed Subcontract
Completed Subcontract
3000 -
MAN-HOURS
2500 -
2000 -
1500 -
1000 -
500 -
TASKS
Figure 1. PROJECT PLAN (November 1, 1979 — October 31, 1980)

AND PROGRESS REPORT AS OF January 1980
xxv
1/80 61003
I. PROPERTIES OF PROCESS MATERIALS

A. Work Accomplished
1.1. Vapor-Liquid Equilibrium In the NHg-CO^-H^S-tÔ System
a. Test of SURFIMP Program on Quaternary Pata
The SURFIMP program of Edwards, Maurer, Newman, and Prausnitz of the

Department of Chemical Engineering, University of California, was tested on
experimental quaternary data of the NH^-O^-I^S-FÔ system. The computation
was carried out by E. Prusniski at the above department with a modified program.
Results on the data of IGT, Badger and Silver, and Cardon and Wilson1 are
shown in Tables I.1-1, 1.1-2, and 1.1-3, respectively; a summary showing the
range of calculated partial pressure as the percent of the experimental value
is shown in Table 1.1-4. The results, however, indicate the need for a better
correlation.
b. Preparation of a Paper
A paper titled, "Correlation of Vapor-Liquid Equilibria of Aqueous Con

densates From Coal Processing," by D. M. Mason and R. Kao, was presented at a
Symposium on Thermodynamics of Aqueous Systems With Industrial Applications,
October 22-25, at Airlie House, near Washington, D.C. The paper will be pub
lished as part of the proceedings in an American Chemical Society Symposium
Series book.
c. Salting Out of Gases by Ammonium Carba;, ate
In the quarterly report for May 1 through July 31, 1979, we showed that,
in the range 0° to 40°C, the effect of temperature on the salting out of car
bon dioxide by aqueous salts can be correlated with the partial molar volume
of the salt at infinite dilution. From partial molar volumes of ammonium bicar
bonate and ammonium hydrosulfide we are able to estimate the salting out of
carbon dioxide by these salts. However, at that time no data were available
on the partial molar volume of carbamate ion. Since then we have obtained an
estimation of its partial molar volume from Professor F. J. Millero of the
University of Miami, a leading expert in this field. With only a minor change1 2 3
1. IGT Process Research Division, "HYGAS , 1972 to 197A Pipeline Gas from Coal - Hydrogenation
(IGT Hydrogasification Process)," R&D Report No. 110: Interim Report No.l, ERDA, July 1975.
2. van Krevelen, D. W., Hoftijzer, P. J. and Huntjens, F. J./'Composition and Vapour Pressures of
Aqueous Solutions of Ananonia, Carbon Dioxide, and Hydrogen Sulphide," Rec. Trav. Chem..
Pays-Bas 68, 191-216 (1949).
3. American Petroleum Institute. "A New Correlation of NH-, C02, and HjS Volatility Data From Aqueous
Sour Water Systems;" Publication 955, API: Washington, D. C., March 1978.
i-i

1/80
Table I.1-1. COMPARISON OF CALCULATED PARTIAL PRESSURES OF NH3, CO2 AND HzS WITH IGT DATA
ON THE SYSTEMS NH3-CO2-H2S-H2O and NH3-CO2-H2O at 6QOC. 1
Liquid Concentration Partial Pressure:, mm Hg

Molality NH3 CO9 H9S
NH„ C0„ H„S SURFIMP1 Exp. SURFIMP Exp. SURFIMP1 Exp.
J
2.076 1.516 0.064 13.55 14.73 355 751.5 22.94 31.64
2.098 1.601 0.052 11.79 13.59 436 738.1 21.53 23.29
1.954 1.471 0.040 12.09 11.44 387 691.9 17.93 22.80
2.160 1.581 0.050 14.26 13.70 349 705.3 17.29 22.43
1.795 1.022 -- 25.76 22.00 103.3 181.7 — —
2.043 1.510 __ 14.51 12.86 320.8 638.5 — —
1. IGT Process Research Division, "HYGAS®, 1972 to 1974 Pipeline Gas from Coal - Hydrogenation
(IGT Hydrogasification Process)," R&D Report No. 110: Interim Report No.l, ERDA, July 1975.
61003
1/80
Table 1.1-2. COMPARISON OF CALCULATED PARTIAL PRESSURES OF NH3, C02 AND H2S WITH EXPERIMENTAL
RESULTS BY BADGER AND SILVER FOR NH3-CO2-H2S-H2O SYSTEM AT 20°C 1
Liquid Concentration ____________ Partial Pressure, mm Hg

Molality NHi COo H?S
NH„ C0o H0S SURFIMP Exp. SURFIMP Exp. SURFIMP’ Exp.
1.231 0.424 0.196 3.53 4.11 1.38 1.45 3.79 3.21

1.236 0.507 0.201 2.80 2.92 2.77 3.50 5.57 5.12
1.450 0.517 0.407 2.80 2.42 2.77 3.70 5.50 12.56
1.076 0.515 0.046 2.44 2.72 3.38 3.65 13.88 -
1.439 0.665 0.396 2.44 1.54 10.35 13.10 25.90 26.97
1.132 0.681 0.100 1.21 1.35 10.97 12.15 6.05 5.29

1.234 0.694 0.199 1.17 1.31 12.51 13.10 13.65 11.14
1.238 0.712 0.203 1.08 1.30 14.42 19.00 15.31 15.25
1.234 0.725 0.199 1.01 0.89 15.95 20.45 16.01 15.95
1.235 0.771 0.200 0.80 0.90 22.95 29.2 20.63 27.38
1.126 0.794 0.095 0.59 0.71 32.76 35.15 11.65 12.20
1.122 0.815 0.091 0.51 - 40.73 42.45 13.69 -

1.129 0.825 0.098 1.56 - 35.77 45.1 13.42 -
1.122 0.840 0.091 0.51 0.55 40.73 - 13.69 13.06
1.129 0.844 0.098 0.495 0.57 42.26 — 15.21 16.91
61003
van Krevelen , D. W., Hoftijzer, P. J. and Huntjens, F. J., "Composition and Vapour
Pressures of Aqueous Solutions of Ammonia, Carbon Dioxide, and Hydrogen Sulphide,
Rec. Trav. Chem., Pay s-Bas 68, 191-216 (1949) .
1/80
Table 1.1-3. COMPARISON OF CALCULATED PARTIAL PRESSURES OF NH-j, C02, and H2S WITH EXPERIMENTAL RESULTS
BY CARBON AND WILSON FOR NH3-C02-H2S-H20 SYSTEM1
z
Liquid Concentration _________Partial Pressures, mm Hg

Temp. Molality NH CO, H„S
°C NHj co2 HnS SURFIMP Exp. SURFIMP Exp. SURFIMP *■ Exp.
50 7.355 2.305 3.633 32.1 30.5 84.7 239.9 912 1132.2

c
50 17.385 4.568 6.362 269 263.2 7.32 54.3 489 540.8
50 1.565 0.057 0.178 48.7 49.2 0.274 2.3 2.65 8.8
m
80 7.570 2.005 4.051 183.7 164.4 373 1,613.0 2496 3960.2
80 2.063 0.029 0.173 203 153.4 7.12 7.6 8.11 20.4
80 5.965 2.769 2.330 79 95.1 980 3,453.6 2000 2585.0
O 80 5.212 2.541 1.889 71.8 127.7 1059 3,458.7 1614 2517.8
80 1.081 0.210 0.085 77.8 102.4 38.4 65.5 11.8 18.4
80 0.561 0.476 0.096 3.97 -- 2,513 2,436.6 290 246.1

1-4
80 0.780 0.142 0.518 20.0 7.8 236 346.9 575 589.4

80 0.599 0.396 0.051 14.25 29.5 540.3 453.4 43.35 47.6
> 80 3.088 1.141 1.281 63.2 102.4 592 987.5 854 1354.5
80 30.589 5.550 7.635 5155 2176.6 57 149.9 1859 847.9
110 2.383 0.847 1.297 114 285.9 4,018 5,976.5 3824 4616.8
110 0.573 0.562 0.119 14.9 15.5 10,754 9,145.7 825.4 801.3
110 0.609 0.073 0.169 93.5 100.3 184.6 169.1 157.2 172.2
110 7.578 3.353 1.711 308 353.1 1,593 10,040.1 1385 4425.5
m
110 3.099 1.835 0.920 128 563.5 6,663 9,988.4 2457 7207.0
O
X 120 2.259 0.099 0.174 650 734.1 83.6 103.4 67.7 67.2
z 120 0.264 0.236 0.140 11.4 19.1 7,759 6,860.6 1353 1623.4
120 0.892 0.446 0.320 75 93.6 4,876 5,619.8 1299 1483.8
o
120 0.106 0.011 0.022 40.3 16.3 39.9 58.3 21.05 22.4
r
120 0.084 0.028 0.084 4.9 46.6 946 752.8 771 563.0
o
61003
o
-<
1. American Petroleum Institute. "A New Correlation of NH^, C02» and Volatility Data From Aqueous
Sour Water Systems;" Publication 955, API: Washington, D.C., March 1978.
1/80
Table 1.1-4. SUMMARY OF TEST OF SURFIMP ON NH3-C02--h2s-h2o DATA
No. of Range of (Calc. Partial Pressure)/

Temp., Data Range of Liquid Cone., molality (Exp. Partial Pressure), %
Investigator °C Points NH, CO, H,S NH, CO, H„S
J L z J z
Badger and Silver 20 12-13 1.08-1.45 0.4-0.85 0.005-0.41 83-116 75-96 44-122
Mason and Kao 60 4 1.9-2.2 1.5-1.6 0.04-0.06 87-106 47-59 72-92

1-5
Cardon and Wilson 50 3 1.6-17 0.06-4.5 0.18-6.4 99-105 12-35 30-81
Cardon and Wilson 80 9-10 1.08-7.6 0.21-2.0 0.09-4.05 48-237 23-119 40-219
Cardon and Wilson 110 5 0.56-31 0.14-5.5 0.05-7.6 23-96 16-118 31-103
Cardon and Wilson 120 5 0.08-2.3 0.01-0.45 0.02-0.32 10-247 68-126 83-137
61003
1/80 61003
to specify a function rather than showing plots of the function, we reproduce his
report almost verbatim at the end of this section, for the use of interested readers.
In therange of 0°to 50°C the change in partial molar volume of ammonium

carbamate doesnot differenough from that of ammonium bicarbonate to cause
the changes in salting-out coefficients of the two salts to be significantly
different. Thus, in correlation equations giving salting out coefficients
as functions of temperature, coefficients of the temperature terms that were
adopted for ammonium bicarbonate solution should serve for ammonium carbamate
also. The same is true above 50°C where our correlations for salting-out
coefficients are based entirely on the behavior of carbon dioxide in sodium
chloride solution. The resulting equations for ammonium carbamate are:
Gas ________ Coefficient, kg HÔ/mol______
C02 0.1919 - 6.870 X 10_4T + 0.8318 X 10_6X2
NH3 0.1199 - 4.559 X 10-AT + 0.552 X 10_6T2
H2S 0.1799 - 6.870 X 10_4T + 0.8318 X 10_6I2
where T is absolute temperature, K.
ESTIMATION OF THE PARTIAL MOLAR VOLUME AT INFINITE DILUTION (V°)

OF AMMONIUM CARBAMATE AT VARIOUS TEMPERATURES
by Frank J. Millero
1) Estimation of V° of NH^ at Various Temperatures
Conventional partial molal volumes of NH,”1" are available from 0° to
200°C. These values are given in Table 1.1-5 along with values for some
common anions. Conventional values are based on a scale that assumes V° of
H+ is zero at all temperatures.
p
2) Estimation of V° of NH2-C-0 at 25°C
Since no experimental data are available for the volumetric properties

Q Q ..
of carbamic acid (NH^-C-OH) and carbamate ion (NH^-C-O ), I have estimated
their V°'s using published data of related compounds.1
1. Millero, F. J., in Horne, R. A., Ed., Water and Aqueous Solutions —

Structure, Thermodynamics, and Transport Properties, 565-95. New York:
Wiley-Interscience, 1972.
1-6

1/80 61003
Table 1.1-5. CONVENTIONAL VALUES OF V° FOR SOME IONS IN WATER AT VARIOUS

TEMPERATURES, V° (conv)
NH +
Temp. Cl Br I NO, CIO,
J-- 4
0 17.5 16.5 23.1 33.6 25.6 40.7
25 17.8, 17.83 24.7t 36.22 29.00 44.i2
6
50 19.2 18.0 25.5 37.5 30.3 45.1
75 19.5 17.4 25.1 37.2 30.7 46.9
100 19.5 16.0 24.9 38.7 31.9 47.9
125 19.3 14.1 23.9 37.5 31.6 48.6
150 19.1 11.2 21.5 35.8 30.0 48.2
175 18.8 7.0 19.2 34.6 28.2 46.5
200 20.0 0.5 13.0 30.2 22.3 43.0
9
a) Estimation of V° of: NH„-C-0H
The V° of carbamic acid can be made in two ways: 1) using urea as

a model. and 2) using formic acid as a model
44.23 cm3mol ^ at 25°C .^ From
1. Urea Model — The V° of urea is
differences in the V° of acetamide and acetic acid, one can estimate the
difference between V° (-NH2) and V° (-0H) = 55.61 - 51.93 = 3.68 cm3mol_;L.
A more reliable estimate of this difference can be determined from the differ
ences in the V° of formamide and formic acid. Reliable V° is available for
3 — —
formic acid, however, the V° for formamide is uncertain. The value of V° =
3-1 4 _ _
39.2 cm mol for formamide from Herskovits and Kelly, gives V° (-NIL) — V°
3 -1 5^
(-0H) = 4.5 cm mol ; while the earlier work of Dunstan and Mussell (1910)
gives V° (-NH2) — V° (-0H) = 3.3 cm3mol 3‘. The average value of 3.9 cm3mol
is in reasonable agreement with the value of 3.7 obtained from acetamide and
3 -1 — 9
acetic acid. I will use the value of 3.8 + 0.3 cm mol . The V° of NH_ — C — OH
3-1 z -5 "
is equal to 44.23 — 3.8 = 40.4 cm mol with an uncertainty of ~ + 0.3 cm-3
mol1
1. Lo Surdo, A., Shin, C. and Millero, F. J., J, Chem. Eng. Data 23, 197-201
(1978).
2. Roux, G., Perron, G. and Desnoyers, J. E., Can. J. Chem. 56, 2808-14 (1978).
3. King, E. J., J. Phys. Chem. 73, 1220-32 (1969).
4. Herskovits, T. T. and Kelly, T. M., J. Phys. Chem. 77, 381-88 (1973).
5. Dunstan, A. E. and Mussell, A. G., J. Chem. Soc. 97, 1935-44 (1910).
1-7

1/80 61003
2. Formic Acid Model — The V° of formic acid is 34.69 cm^mol ^ at 25°C.'''
The difference between the V° (-NH9) and V° (-H) can be taken from the work
2 -3-1
of Roux et al. They give group contributions of V° (-NH0) ■ 15.7 cm mol
-3-1 Z
and V°(-H) = 10.7 cm mol based on the results of volume studies on amides,
ketones, esters, and ethers. The V°(-NH_) - V°(-H) = 5.0 cm^mol J'. The V°
of NH2 — C — OH is equal to 34.7 + 5 = 39.7 cm mol-1 with an uncertainty of
+0.5 cm^mol-^.
_ 9
(b)
Estimation of the V° of NH„ — C — 0
^ 0
_ It
The conventional value of the V° of NH» — C — 0 can be estimated from
O -I 2 0
the average value of V° = 40.1 cm mol ■L for NH2 — C — OH by correcting for
3 -1
ionization. To make this correction, I have used AV° = —8.4 cm mol which
^ _
is the volume change for the ionization of formic acid. This gives V° for
n — *1 _ *i
NH2 — C — 0 equal to 40.1 - 8.4 = 31.7 cmJmol ± with an estimated uncer-
3 -1
tainty of +0.5 cm mol
9 _
3) Estimation of V° of NH^ — C — 0 at Various Temperatures
Since no temperature V° data are available for an anion of structure

similar to NH2 — C — 0 (e.g., formate or acetate ions), I have estimated the
temperature dependence from ions of similar size. The change in V0(t°C) —
V°(250C) for various anions is given in Table 1.1-6. The effect of tem
perature on the V° for I and NO^ ions which have a similar size to NH2 —
C - 0“ gives linear plots of [V0(t°C - V0(25°C)]/[t(°C) - 25°C] against
t(°C) — 25°C. Values of V°(t) — V0(25°C) estimated from these results (using
a linear interpolation) are given in Table 1.1-6. Since there is some scatter
in the results at high temperatures, I have also used smoothed data (from the
plots) for I and NO^ for the interpolation (given in parentheses in
Table 1.1-6.
By combining the smoothed values of V°(t) — V0(25°C) with the 25°C, I

have estimated V° for NH2 — C — 0 from 0° to 200.9C,. The results are given
in Table 1.1-7 along with the V° of NH^+ and ammonium carbamate.
1. King, E. J., J. Phys. Chem. 73, 1220-32 (1969).

2. Roux, G., Perron, G. and Desnoyers, J. E., Can. J. Chem. 56, 2808-14 (1978).
3. Lo Surdo, A., Shin, C. and Millero, F. J., J. Chem. Eng. Data 23, 197-201
(1978).
1-8
1/80 61003
Table 1.1-6. VALUES OF V0(t°C) - V°(250C) FOR SOME ANIONS
Temperature, 8
0°C Br I NO„ dO, NH„ — C — i
J 4-- ■ z
0 -1.6 -2.6 -3.4 -3.4 -3.1
25 0.0 0.0 0.0 0.0 0.0
1.3(1.!)* 1.3(1.2)* 1.3(1.2)*
50 0.8 1.0
75 0.4 1.0(1.8) 1.7(2.2) 2.8 1.4(2.1)
100 0.2 2.5(1.9) 2.9(2.7) 3.8 2.8(2.4)
125 —0.8 1.3(1.3) 2.6(2.5) 4.5 2.1(2.1)
150 -3.2 —0.4 (—0.1) 1.0(1.1) 4.1 0.5(0.6)
175 -5.5 -1.6(-2.3) —0.8(—1.6) 2.4 -l.K-1.9)
200 -11.7 —6.0 (—5.5) —6.7(—6.1) -1.1 -6.4(-5.9)
The_values Inparentheses have been estimated from smoothed functions

of V0(t°C) - V°(25°C) versus t - 25°C.
Table 1-1.7. ESTIMATED VALUES OF V° FOR AMMONIUM ION, CARBAMATE ION,

AND AMMONIUM CARBAMATE
Temperature, 8 _ 0
II
°C NH NH„ - C - 0 NH , 0 — C - NH„
H 4 z
0 17.5 28.6 46.1 + 0.6

25 17.9 31.7 49.6 + 0.6
50 19.2 32.9 52.1 + 0.6
75 19.5 33.8 53.3 + 0.8
100 19.3 34.1 53.6 + 1.0
125 19.1 33.8 53.1 + 1.0
150 18.8 32.3 51.4 + 1.2
175 20.0 29.8 48.6 + 2.0
200 25.8 45.8 + 3.0
I have estimated the uncertainties of the values of V° for ammonium carbamate.

3
Over most of the temperature range the V° should be reliable to ~ + 1.0 cm mol
1-9
1/80 61003
1.2. PURE COMPONENT PROPERTIES - SI UNITS
a. Introduction
Properties of ,Furan and Tetrahydrofuran compiled by the Thermodynamic

Research Center of Texas A&M University, are presented in SI Units in
Tables 1.2-1 through 1.2-17. Tables 1.2-1 through 1.2-9 list the physical
properties of both Furan and Tetrahydrofuran. Tables 1.2-10 through 1.2-13
and Tables 1.2-14 through 1.2-17 list the thermodynamic properties of Furan
and Tetrahydrofuran, respectively. Some of the properties of Furan or
Tetrahydrofuran, such as surface tension, dielectric constants and
thermodynamic properties of saturated liquid have not been received from
TRC, and hence, are not included in this report.
Most of the tabulated properties are based on experimental measurements

reported in the technical literature. Frequently, some combination of
averaging, smoothing, correlation, interpolation, extrapolation, correction
or unit conversion has been applied to arrive at the final values. In
some cases, a correlation or estimation has been used to fill in gaps
where experimental data are missing. Estimated values are indicated as
such in the tables and on the graphs.
The data are presented in the form of correlations followed by tables

and graphs (for English Units only). Whereever a correlation is given, the
tabulated and plotted data are obtained from the correlation.
1-11
institute 0 F GAS TECHNOLOGY

1/80 61003
Uncertainties In Tabulated Data for Pure Components
The magnitudes of the uncertainties of numerical values of physical

and thermodynamic properties of pure components are roughly indicated by
the number of significant figures given. For those properties reported as
isolated values and which are directly related to experimental observation,
the estimated uncertainty (including the effect of both random and system
atic errors) is in the range of +2 in the last significant figure to +1 in
the penultimate significant figure. Properties such as a melting point,
heat of fusion, refractive index, or heat of combustion are examples of
this kind of property.
For those properties tabulated over a range of conditions as functions

of an independent variable such as temperature or pressure, the estimated
uncertainty in an individual value typically lies in the range of +1 to +9
in the penultimate significant figure. However, uncertainties in the rela
tive value of adjacent numbers are frequently less than this. Examples of
this kind of property are density, vapor pressure, and heat capacity. Note
In applying the above rules to properties for which negative values

have no physical meaning, the magnitude of the uncertainties should not be
interpreted as larger than the magnitude of the property value.
In tabulating properties obtained by a long extrapolation or by esti

mation or correlation without direct experimental data, the values are
generally listed with one less significant digit than implied by the above
rules. Such numbers are identified either by footnote or by a parentheti
cal phrase associated with the equation used to generate the numbers.
1-12

1/80
61003
Nomenclature
A s Cryoscopic Constant = Heat Energy in the First

q
B = Second Virial Coefficient Thermodynamics Relation
V
C = Heat Capacity Q - Calorific Value
c = Third Virial Coefficient r = Distance of Separation
V
[ ss Fugacity R S Universal Gas Constant
G = Gibbs Energy S 8 Entropy
H s Enthalpy T = Absolute Temperature
K = Electrical Conductivity U 8 Internal Energy
K = Equilibrium Constant V = Volume
K = Watson Characterization Factor W = Work Energy
w
8 Refractive Index X = Mole Fraction
nD
M = Molecular Weight Z = Compressibility Factor
P Pressure
SUBSCRIPTS
b = Boiling Point rev 8 Reversible
c = Combustion s 8 Saturation
c s Critical Point sub = Sublimation
f = Formation tP 8 Triple Point
H s Constant Enthalpy tr 8 Transition
m = Melting Point V 8 Constant Volume
P = Constant Pressure V - Vaporization
r = Reduced
SUPERSCRIPTS
Standard State id = ideal gas at specified pressure
GREEK
■ Thermal Diffusivity y “ Dipole Moment
Y = Surface Tension y = Joule-Thomson Coefficient
A = Difference p ■ Density
n * Viscosity <j> = Fugacity Coefficient

A = Thermal Conductivity a) = Acentric Factor
y = Kinematic Viscosity E * Dielectric Constant
1-13

1/80 61003
b. Physical Properties
1 ) Basic Properties
Table 1.2-1. BASIC PROPERTIES
Compound Furan^ Tetrahydrofuran

Chemical Structure dj db
Chemical Formula C.H.O C4BC°

4 4
Chemical Abstracts Registry Number 110-00-9 109-99-9
Molecular Weight 68.0750 72.1066
Transition Point, t , °C -123.16
tr
Melting Point, t , °C (in air at 1.01325 bar) -108.51
m
Triple Point, t , °C (c, liq, gas) -85.58 -108.39
Normal Boiling Point, t, , °C (at 1.01325 bar) 31.35 65.96
b
dt,/dP, °C/bar 27.12 30.44
D
Enthalpy of Transition, AHtr (t ), kJ/mol. 2.047
Enthalpy of Fusion, AH^ (t ), kJ/mol. 3.802 8.54
Enthalpy of Vaporization, AHv kJ/mol. 27.15 30.12
Critical Temperature, t , °C 217.1 267.0
Critical Pressure, P , bar 55.0 51.9
c
Critical Density, p , kg/ra 337. 322.
C 3 -4 -4
Critical Volume, V , m /mol. 2.02 X 10' 2.24 X 10
Critical Compressibility factor, Zc 0.273 0.259
Acentric Factor, o' 0.203 0.225
Cryoscopic Constant, A, K ^
0.0130 0.0378
1/3
Watson Characterization Factor, K 8.66 9.51
a Ref 2, 3.
b Ref 1, 3, 4.
References
1. American Petroleum Institute Research Project 45, Ohio State University,

Columbus, Ohio, Annual Report, June 30, 1953.
2. Guthrie, G. B., Scott, D. W. , Hubbard, W. N. , Katz, C., McCullough, J. P.,

Gross, M. E., Williamson, K. D. and Haddington, G., J, Am, Chem. Soc.
74, 4662 (1952).
3. Kudchadker, A. P., Alani, G. H. and Zwolinski, B. J., J. Chem, Rev. 68,

659 (1968).
4. Lebedev, B. V., Rabinovich, 1. B., Milov, V. I. and Lityagov, V. Ya.,

J. Chem. Thermodyn. 10, 321 (1978).
SI UNITS
1-14
INSTITUTE OF GAS TECHNOLOGY

1/80 61003
2) Properties at Ib^C
Table 1.2-2. PROPERTIES AT 25°C
Compound Furan3 Tetrahydrofuran^
Chemical Structure
Chemical Formula
d) c!)
W
Chemical Abstract Registry Number 100-00-9 109-99-9
Phase liquid liquid
Refractive Index, n^ 1.419 1.405
Density, p, kg/m 931.32 882.4
Vapor Pressure, P , Bar 0.7995 0.2163
dP/dt, bar/°C 0.03058 0.00949
Enthalpy of Vaporization, AH^, kJ/mol 27.65 32.15
Enthalpy of Combustion, AH
(1, net), kJ/mol -1995.29 -2324.98
(1, gross), kJ/mol -2083.31 -2501.03
(g, net), kJ/mol -2022.95 -2357.13
(g, gross), kJ/mol -2110.97 -2533.18
Enthalpy of Formation, AH^0
(1), kJ/mol -62.38 -216.33
(g), kJ/mol -34.73 -184.18
Gibbs Free Energy of Formation, AGf°
(1), kJ/mol 0.111 -84.00
(g), kJ/mol 0.815 -79.68
Equilibrium Constant of Formation,
lo810Kf
(1) 0.0195 14.72

(g) -0.143 13.96
Heat Capacity at Saturation, C
(1), J/K-mol 114.63 123.9
Ideal Gas Heat Capacity, C °
(g), J/K-mol 65.40 76.53
(Continued)
1-15
INSTITUTE OF G AS T E CHNOLOGY
1/80 61003
Table 1.2-2. (CONT.) PROPERTIES AT 25°C
Compound Furana Tetrahydrofuran
Entropy, Sg
(1), J/K-mol 177.01 203.9
Ideal Gas Entropy, S°
(g), J/K-mol 267.14 297.29
Surface Tension, Y, N/m 2.34 X 10 2.64 X 10
Viscosity, r), Ns/m^ 3.61 X 10
4.55 X 10
Dielectric Constant,e 2.042 7.40
Dipole Moment, y, debye (in benzene) 0.72 1.66
a Ref 3, 4, 5, 9, 12.
b Ref 1, 2, 6, 7, 8, 9, 10, 11.
References
1. Bohme, H. and Schurhoff, W., Chem. Her. 84, 28 (1951).
2. Carvajal, C., Tolle, K. J., Smld, J. and Szwarc, M., J. Am. Chem. Soc.
87, 5548 (1965).
3 Cox, J. D. and Pilcher, G., "Thermochemistry of Organic and Organo-

metallic Compounds," New York, Academic Press (1970).
4. Guthrie, G. B. Jr., Scott, D. W., Hubbard, W. N., Katz, C.,

McCullough, J. P., Gross, M. E., Williamson, K. D. and Waddington, G.,
J. Am. Chem. Soc. 74. *662 (1952).
5. Harris, B. and LeFevre, R. J. W., J. Chem. Soc. 1622 (1953).
6. Koizumi, E. and Ouchi, S., Nippon Kagaku Zasshi 91, 501 (1970).
7. Kuss, E., Z. Agnew. Phys. 7. 372 (1955).
8. Lebedev, B. V., Rabinovich, I. B., Milov, V. I. and Lityagov, V. Ya.,

J, Chem. Thermodyn. 10. 321 (1978).
9. McClellan, A. L., "Tables of Experimental Dipole Moments,” El Cerrito,

California, Rahara Enterprises, Vol XI. (1974).
10. Metz, D. J. and Glines, A., J. Phys. Chem. 71, 1158 (1967).
11. Pell, A. S. and Pilcher, G., Trans Faraday Soc. 61, 71 (1965).
12. Timmermans, J., "Physico-Chemical Constants of Pure Organic Compounds,”

New York, Elsevier, Vol II, (1965).
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3) Density (C^ Compounds)
Liquid Density Correlations
Furan
For -85° < t < 100°C,
p = 965.01 - 1.3475 t
where: t = temperature, °C
3
p = density, kg/m
Tetrahydrofuran
For -100° < t < 60°C,

p = 905.9 - 0.922 t - 1.284 X 10~4 t2 - 2.442 X 10“5 t3
where: t = temperature, °C
3
p = density, kg/m
1-17

1/80 61003
Table 1.2-3. DENSITY - C. COMPOUNDS

4
Temperature Furan3 Tetrahydrofuran

°C ( 3
Density, kg/m
-100 — 1021.
-90 - 1006.
-85 1080. -
-80 1073. 991.
-70 1059. 978.
-60 1046. 966.
-50 1032. 955.
-40 1019. 944.
-30 1005. 934.
-20 992.0 924.
-10 978.5 915.
0 965.01 906.
10 951.54 896.6
20 938.06 887.2
30 924.59 877.4
40 911.1 867.2
50 897.6 856.4
60 884.2 844.8
70 870.7 -
80 857.2 -
90 844. -
100 830. -
a Ref 1, 3.
b Ref 1, 2, 3.
References - ^
1. Guthrie, G. B. Jr., Scott, D . H., Hubbard, W. N. » Ka£zi C.,

McCullough, J. P., Gross, M. E., Williamson, K. 1D. and Waddington, G.,
J. Am. Chem. Soc. 74, 4662 (1952).
2. Harris, B. and LeFevre, R. J. W., J. Chem. Soc. 1622 (1953).
3. Timmermans, J., "Physico-Chemical Constants of Pure Organic Compounds,"

New York, Elsevier, Vol 2 (1965).
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1/80 61003
4) Molar Volume
Table 1.2-4 MOLAR VOLUME - C COMPOUNDS

4
a
Temperature Furan Tetrahydrofuran
°C
-Molar Volume, m /mol-
-100 - 7.06 X 10
_ io"5
-90 7.17 X
6.31 X 10-5
-85
6.35 X 10-5 io"5
-80 7.27 X
6.43 X 10-5 io"5
-70 7.37 X
6.51 X 10-5 io-5
-60 7.46 X
6.59 X 10-5 io-5
-50 7.55 X
6.68 X 10-5 io-5
-40 7.64 X
6.77 X 10-5 io-5
-30 7.72 X
6.86 X 10-5 io-5
-20 7.80 X
6.96 X 10-5 io-5
-10 7.88 X
7.054 X 10'5 io-5
0 7.96 X
7.154 X 10-5 io-5
10 8.04 X
7.257 X 10-5 io"5
20 8.13 X
7.363 X 10“5 io-5
30 8.22 X
7.472 X 10-5 io-5
40 8.31 X
7.58 X 10-5 io-5
50 8.42 X
7.70 X 10-5 io-5
60 8.54 X
7.82 X 10“5
70
7.94 X 10“5
80
8.1 X 10"5
90
8.2 X 10"5
100
Ref 1, 3.
b Ref 1, 2, 3.
References
1. Guthrie, G. B. Jr., Scott, D. W. , Hubbard, W. N., Katz, C.,

J. Am. Chem, Soc. 74, 4662 (1952).
2. Harris, B. and LeFevre, R. J. W., J, Chem. Soc. . 1622 (1953).

New York, Elsevier, Vol. 2, (1965).
SI UNITS
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1/80 61003
Vapor Pressure (C^ Compounds)
Vapor Pressure Correlations
Furan
For -80° < t < 80°C,

log 15 = 4 09427 ----- 1057.68
810 * s t + 227.344
For 80° < t < 217.1°C,

P = 12.89632 - 5:-"4—^ ~ 17.1299 T + 12.8634 T 2
log10 r T r r
r
- 3.59899 T 3 + 0.010664 log,. (T + 8 - T T )
r 10 c c r
where: Ps = vapor pressure, bar

P = P /P
r sc
Pc = critical pressure = 55 bar
t = temperature, °C
T = T/T
r c
Tc = critical temperature = 490.25 K
Tetrahydrofuran
For -20° <_ t < 120°C,

1200.26
log10 Ps = 4•11628 ~
226.038 + t
For 120° < t < 267°C,

log1rt P = 10.53913 - 4,$3102 - 12.10658 T + 8.20212 T 2
610 r T r r
r
- 2.00179 T 3 - 0.00362181 login (T + 8 - T T )
r 10 c c r
1-20

1/80 61003
where P = vapor pressure, bar

s
P = P /P
r s c
P = critical pressure = 51 9 bar
T = T/T
c
= critical temperature = 540.15 K
1-21
INST T U T E 0 F GAS TECHNOLOGY
1/80 61003
Table 1.2-5. VAPOR PRESSURE - COMPOUNDS
Temperature Furan8 Te trahvdro furan^
■Vapor Presaure, bar-

-80 8.24 X 10-4
-70 2.36 X 10-3
-60 5.94 X IO-3
-50 1.35 X 10-2
-40 2.81 X 10-2
-30 5.43 X 10 “2
-20 9.84 X 10-2 1.954 X IO-2
-10 0.169 3.635 X 10"2
0 0.277 6.402 X IO-2
10 0.434 0.1075
20 0.658 0.1730
30 0.964 0.2682
40 1.37 0.4024
50 1.91 0.5863
60 2.59 0.8320
70 3.44 1.153
80 4.49 1.564
90 5.76 2.082
100 7.3 2.722
120 11.3 4.44
140 16.6 6.83
160 23.7 10.1
180 32.7 14.5
200 43.9 20.1
217.1C 54.9 -
220 27.3
240 36.2
260 47.2
267d
51.7
Ref. 1,2,4
Ref. 1,2,3,4
Critical temperature of furan
Critical temperature of tetrahydrofuran
SI UNITS
1-22

1/80 61003
References

J. Am. Chem. Soc. 74, 4662 (1952).
2. Kobe, K. A., Ravicz, A. E. and Vohra, S. P., J. Chem. Eng. Data

1, 56 (1956).
3. Scott, D. W., J. Chem. Thermodyn. 2, 833 (1970).
4. Zwolinski, B. J., et al., "Selected Values of Properties of Chemical

Compounds," Thermodynamics Research Center Data Project, College
Station, Texas, Thermodynamics Research Center, Texas A&M University,
(loose-leaf data sheets, extant 1976). Calculated, correlated and
estimated values as well as published values.
1-23
1/80 61003
6) Enthalpy of Vaporization (C^ Compounds)
Enthalpy of Vaporization Correlations
Furan
For -80° < t £ 80°C,
Mv = 20.2486 (T . 4^806) (1 +-^)
For 80° < t < 217.1°C,

9.32321 (1 - Tr)1/3 + 80.0797 (1 - Tr)2/3
AHv =
61.9546 (1 - T ) + 7.4697 (1 - Tr)4/3
where: AH enthalpy of vaporization, kJ/mol

v
T absolute temperature, K
T T/T
r c
T critical temperature = 490.25 K
c
P vapor pressure at temperature T, bar
s 3
B second virial coefficient, m /mol
v
83.1441 X 10-6 m3 bar/K mol
R
Tetrahydrofuran
For -20° < t < 267°C,

AH = -15.1042 (1 - T )1/3 + 394.845 (1 - T )2/3
v r r
4/3
-1563.53 (1 - T ) + 3529.94 (1 - Tr) '
-3924.35 (1 - T ) 5/3
' + 1655.4 (1 - T ) 2
r r
where: AHv = enthalpy of vaporization, kJ/mol

T « T/T
r c
T = absolute temperature, K
Tc = critical temperature _ 540.15 K
1-24
1/80 61003
Table 1.2-6. ENTHALPY OF VAPORIZATION - C. COMPOUNDS

4
Temperature Furan® Tetrahydrofuranb

cC
-Enthalpy of Vaporization, kJ/mol—
-80 34.8
-70 33.7
-60 32.8
-50 32.0
-40 31.3
-30 30.6
-20 30.01 34.62
-10 29.42 34.00
0 28.86 33.43
10 28.32 32.88
20 27.78 32.36
30 27.24 31.86
40 26.70 31.37
50 26.14 30.89
60 25.58 30.41
70 25.0 29.9
80 24.4 29.4
90 23.7 28.9
100 22.9 28.4
120 21. 27.2
140 19. 25.8
160 17. 24.
180 14. 22.
200 10. 20.
217.lc 0 -
220 16.
240 12.
260 6.
a 0
Ref. 1,2
b< Ref. 1,2
c.
Critical tenperature of furan
Critical temperature of tetrahydrofuran
References

J, Am. Chem. Soc. 74, 4662 (1952).

Station, Texas, Thermodynamics Research Center, Texas ASM University
(loose-leaf data sheets extant 1976). Calculated, correlated and
81 UNITS TH
INS T I T U T E 0 F GAS TECHNOLOGY

1/80 61003
7) Viscosity (C^ Compounds)
Viscosity Correlations
Furan
For 0° <. t < 40°C,
388.60
log10n = -4.746 +
t + 273.15
where: n = viscosity, Ns/m
Tetrahydrofuran
For -100° < t < 100°C,
3QQ 28
log100 = -4.681 + t f9-28^
2
where: ri = viscosity, Ns/m
1-26
1/80 61003
Table 1.2-7. VISCOSITY OF LIQUIDS - COMPOUNDS
ci b
°C 2
------- Viscosity, Ns/m --------
io~3
-100 4.22 X
io-3
-90 3.16 X
10-3
-80 2.43 X
10-3
-70 1.93 X
10-3
-60 1.56 X
io-3
-50 1.28 X
io-3
-40 1.08 X
io-4
-30 9.14 X
io-4
-20 7.87 X
io-4
-10 6.86 X
>
1
C
■
io-4
0 4.75 X 6.04 X
O
*
1
>
io-4
4
10 4.23 X 5.36 X
O
**
1
P
4
•
10-4
o—
3.80 X 4.80 X
I
20
10-4 io-4
30 3.44 X 4.33 X
10-4 io-4
40 3.13 X 3.93 X
io-4
50 3.59 X 1
3.29 X
M
60
O
io"4
70 3.04 X
io-4
80 2.82 X
io-4
90 2.62 X
io-4
100 2.45 X
a Ref 4.
b Ref 1, 2, 3.
References
1. Carvajal, C., Tolle, K. J., Smid, J. and Szwarc, M., J. Am. Chem. Soc.
87, 5548 (1965).
2. Kuss. E.. Z. Aenew Phvs. 7, 372 (1955).
3. Metz, D. J. and Glines, A., J. Phvs. Chem. 71. 1158 (1967).
4. Timmermans, J., "Physico-Chemical Constants of Pure Organic Compounds,'

New York, Elsevier, VoL 2^, (1965).
81 UNITS
1-27
1/80 61003
8) Surface Tension (C^ Compounds)
Surface Tension Correlations
Furan
For -80° < t < 80°C,

Y - 0.02686 - 1.387 X 10-4 t
where: y " surface tension, N/m

t « temperature, °C
1-28
1/80 61003
Table 1.2-8. SURFACE TENSION - C. COMPOUNDS

4
Temperature Furan3
°C
—Surface Tension
-80 0.038
-70 0.037
-60 0.035
-50 0.034
-40 0.032
-30 0.031
-20 0.030
-10 0.0282
0 0.0269
10 0.0255
20 0.0241
30 0.0227
40 0.0213
50 0.0199
60 0.019
70 0.017
80 0.016
a Ref 1.
References

New York, Elsevier, Vol. 2, (1965 )
SI UNITS
1-29
1/80 61003
9) Dielectric Constant (C^ Compounds)
Dielectric Constant Correlations
Tetrahydrofuran
For -100° < t < 60°C,

2654
£ - -1.498 +
t + 273.15
where: £ = dielectric constant, dimensionless

1-30
1/80 61003
Table 1.2-9. DIELECTRIC CONSTANT - C. COMPOUNDS

A
£
Temperature Tetrahydrofuran
°C
—Dielectric Constant—
-100 13.8
-90 13.0
-80 12.2
-70 11.57
-60 10.95
-50 10.40
-40 9.89
-30 9.42
-20 8.99
-10 8.59
0 8.22
10 7.88
20 7.56
30 7.26
40 6.98
50 6.7
60 6.5
a Ref 1, 2.
References
1. Carvajal, C., Tolle, K. J., Smid, J. and Szwarc, M.,

J. Am. Chem. Soc. 87, 5548 (1965).
2. Metz, D. J. and Glines, A., J. Phvs. Chem. 71. 1158 (1967).
81 UNITS
1-31
1/80 61003
c. Thermodynamic Properties of Furan

1) Saturated Liquid
The correlation used for calculating the heat capacity at saturation Is:
C - A + BT + CT2 + DT3 + ET4
s
where: C * heat capacity at saturation, J/mol K

3
T - absolute temperature, K
A, B, C, D, E are constants, values of which are tabulated below.
Temperature
Range
K A B c D E
0-17 - - - 370.45 X IO-5 1.122 X 10"5
17-59.1 1.09947 -1.1037 X 10^3 -6.3634 X 10“5

Crystal 11 -9.230 -
59.1-90 30.083 -0.15899 7.7166 X 10 J -4.3028 X 10‘5 -
90-150 14.866 0.66354 -4.9267 X IO-3 1.6774 X io"5 -
150-165 -9041.85 171.71136 -1079.3611 X 10-3 226.3933 X IO'5
Crystal 1 -
165-187.54 -12676.60 224.30089 -1316.2864 X 10 257.7302 X 10-5 -
Liquid 187.54-310 140.290 -0.54421 2.0979 X 10'3 -0.1883 X 10~5 -
C - a + bT + cT2 + dT3
P
Temperature
Range
K A B
-3 0.1883 X 10“5383 X 10~5
187.50-310 138.365 -0.51643 1.9673 X 10
Other properties were calculated from the equation for cs using standard
thermodynamic relationships.
1-32
N s T T U T E 0 F GAS TECHNOLOGY
1/80 61003
Table 1.2-10. THERMODYNAMIC PROPERTIES OF

CONDENSED PHASES3 - FURAN
Enthalpy Gibbs Energy

Heat Capacity, Entropy,** Enthalpy,** Function ,b Function,!;
T Cs CP S H - ft (Hs - J!g)/r (c, - "S)/*’
s s 0
J mol'1 K'1 J mol 1 -1 K'1
K J mol
Crystal II
5 0.393 0.393 0.137 0.5 0.102 -0.035

10 2.582 2.582 0.954 7.0 0.702 -0.253
15 6.822 6.822 2.748 29.8 1.990 -0.758
20 11.81 11.81 5.396 76.5 3.823 -1.572
25 16.57 16.57 8.547 147.5 5.901 -2.646
30 21.04 21.04 11.969 241.7 8.06 -3.912
35 25.17 25.17 15.527 357.4 10.21 -5.316
40 28.91 28.91 19.137 492.8 12.32 -6.818
45 32.21 32.21 22.738 645.8 14.35 -8.387
50 35.03 35.03 26.28 814.1 16.28 -10.000
55 37.32 37.32 29.73 995.2 18.09 -11.638
60 39.03 39.03 33.06 1186.3 19.77 -13.285
70 42.01 42.01 39.30 1591.6 22.74 -16.562
80 44.72 44.72 45.09 2026. 25.32 -19.770
90 46.91 46.91 50.49 2484. 27.60 -22.887
100 48.73 48.73 55.53 2962. 29.62 -25.901
110 50.57 50.57 60.26 3459. 31.44 -28.812
120 52.53 52.53 64.74 3974. 33.12 -31.62
130 54.72 54.72 69.03 4510. 34.69 -34.33
140 57.23 57.23 73.17 5070. 36.21 -36.96
150 b 60.16 60.16 77.22 5656. 37.71 -39.51
Crystal I
150b 70.00 70.00 90.86 7703. 51.35 -39.51
160 73.39 73.39 95.52 8424. 52.65 -42.87
170 76.16 76.16 100.05 9172. 53.95 -46.10
180 80.71 80.71 104.50 9950. 55.28 -49.22
187.57c 93.33 93.33 108.03 10602. 56.51 -51.52
Liquid
187.57c 99.61 99.61 128.32 14404. 76.79 -51.52
190 99.72 99.72 129.60 14646. 77.09 -52.51
200 100.32 100.32 134.73 15646. 78.23 -56.50
210 101.10 101.10 139.64 16653. 79.30 -60.34
220 102.07 102.07 144.36 17669. 80.31 -64.05
230 103.21 103.21 148.93 18695. 81.28 -67.64
240 104.50 104.50 153.35 19733. 82.22 -71.12
250 105.95 105.95 157.64 20786. 83.14 -74.50
260 107.53 107.55 161.83 21853. 84.05 -77.78
270 109.24 109.26 165.92 22937. 84.95 -80.97
280 111.07 111.12 169.92 24038. 85.85 -84.07
290 112.99 113.07 173.85 25158. 86.75 -87.10
298.15 114.63 114.74 177.01 26086. 87.49 -89.51
300 115.01 115.13 177.72 26298. 87.66 -90.06
310 117.1 117.3 181.5 27459. 88.58 •92.94
a Ref. 1, 2.
k Transition Point.
c Triple Point.
References
1. Eon, C., Poramier, C. and Guiochon, G., J. Chem. Eng. Data 16, 408 (1971).
2. Palm, A. and Bissell, E. R., Spectrochlm Acta 16, 459 (1960).
SI UNITS
1-33
1/80 61003
2) Ideal Gas Thermodynamic Properties
Table 1.2-11. IDEAL GAS THERMODYNAMIC PROPERTIES3 - FURAN
' *w Gibbs Enthalpy ‘-Ibbs Energy Equilibrium

Heat Energy of of Constant of
Temperature Capacity Entropy Function Enthalpy Formation Formation Formation *
T Cp°_________ S° -(C° - H°)/T U° - ir° tHf0 tG{° log Kf
K J K*1 mol'1 kJ mol'1
0 0.00 0.00 0.00 0.00 -21.60 -21.60 Infinite
so 33.26 197.41 164.15 1.66 -24.89 -22.16 23.152
100 33.53 220.50 187.21 3.33 -26.31 -18.91 9.880
ISO 36.39 234.50 200.76 5.06 -28.19 -14.83 5.164
200 43.60 245.85 210.64 7.04 -30.40 -10.07 2.630
273.15 59.43 261.68 222.19 10.79 -33.67 -2.00 0.383
298.15 65.40 267.14 225.73 12.35 -34.73 0.90 -0.157
300 65.85 267.55 225.99 12.47 -34.80 1.12 -0.196
400 88.80 289.70 239.14 20.22 -38.48 13.64 -1.781
SOO 107.82 311.64 251.46 30.09 -41.32 27.06 -2.826
600 122.77 332.68 263.26 41.65 -43.51 40.94 -3.564
700 134.59 352.52 274.61 54.54 -45.22 55.17 -4.117
800 144.13 371.14 285.52 68.50 -46.54 69.57 -4.542
900 152.00 388.59 296.02 83.31 -47.52 84.20 -4.887
1000 158.60 404.95 306.10 98.85 -48.17 98.94 -5.168
1100 164.20 420.33 315.79 115.00 -48.57 113.48 -5.388
1200 168.97 434.84 325.11 131.66 -48.83 128.28 -5.584
1300 173.08 448.53 334.09 148.77 -48.96 143.10 -5.750
1400 176.62 461.49 342.73 166.26 -48.98 158.10 -5.899
1500 179.69 473.78 351.06 184.08 -48.90 172.79 -6.017
a Ref 1, 2, 3, 4.
References
1. Davidson, R and Varsop, P. A.. J. Chem. Soc. Faraday Trans. II 68,

1875 (1972).
2. Orza, J. M., Rico, M. and Barrachlna, M. J. Mol. Spectrosc. 24. 133

(1967).
3. Pouchan, C., Raymon, J., Sauvaltre, H. and Chaillec, M. J. Mol. Struct.

21, 253 (1974).
4. Lebedev, B. V., Rabinovich, I. B., Milov, V. I. and Lltyagov, V. Y.,

J. Chem. Thennodyn. 10 321 (1978).
SI UNITS
1-34
1/80 61003
3). Second Vlrial Coefficient and Its Temperature

Derivatives Correlation
The correlation used to calculate the second vlrial coefficient is:
BÔn3 mol = 2v*{(R1 - (1 - flj) [exp(uAr) - 1] - ((R2 - 1) [expC-uAr) - l]
- (<Rj - tf^HexpC-O.Zl u/kT) - 1]}
3
where: B * second virial coefficient, m /mol
v
u/k = -867.1
V = 72.64 X 10-6
= 0.7, R2 = 1.147, R3 = 6.07

The second virial coefficient and its first and second temperature
derivatives are listed in Table 1.2-12.
1-35
1/80 61003
Table 1.2-12. SECOND VIRIAL COEFFICIENT AND ITS

TEMPERATURE DERIVATIVES - FURAN
Second Vlrial First Temperature Second Temperature
Coefficient Derivative'’ Derivative'*
d^By
dBv
B dr2
- r■ V dT
m3*!©!'1 xlO6 m3*©!'1 K"1 x 106 ~ ,-i
K m mol K x 10
193.15 -2856. 53.2 -1.6

203.15 -2396. 39.8 -1.1
213.15 -2048. 30.5 -0.77
223.15 -1777. 24.0 -0.55
233.15 -1561. 19.3 -0.41
243.15 -1387. 15.7 -0.31

253.15 -1244. 13.0 -0.24
263.15 -1125. 11.0 -0.18
273.15 -1024. 9.3 -0.15
283.15 -937. 8.0 -0.12
293.15 -863. 6.9 -0.095
298.15 -829. 6.5 -0.086
303.15 -798. 6.1 -0.079
304.50 -790. 6.0 -0.077
313.15 -741. 5.4 -0.065
323.15 -690. 4.8 -0.055
333.15 -645. 4.3 -0.047
343.15 -605. 3.8 -0.040
353.15 -568. 3.5 -0.034
363.15 -536. 3.1 -0.030
373.15 -506. 2.9 -0.026
383.15 -478. 2.6 -0.023
393.15 -453. 2.4 -0.020
403.15 -430. 2.2 -0.018
413.15 -409. 2.0 -0.016
423.15 -389. 1.9 -0.014
433.15 -371. 1.8 -0.013
443.14 -354. 1.6 -0.011
453.15 -338. 1.5 -0.010
463.15 -323. 1.4 -0.009
473.15 -310. 1.3 -0.008
483.15 -296. 1.3 -0.008
a Ref 1, 2, 3.
b db d2B
V v
Values of and —j— are calculated using the Bv equation.
dT
SI UNITS
1-36
1/80 61003
References
1. Engerholm, G. C., Luntz, A. C., Gwinn, W. D. and Harris, D. 0.

J. Chem. Phvs. 50, 2446 (1969).
2. Eon, C., Pommier, C. and Guiochon, G. J. Chem. Eng. Data 16, 480 (1971).
3. Palm, A. and Bissell, E. R. Spectrochlm. Acta. 16, 459 (1960).
1-37
1/80 61003
A) Real Gas Properties
The real gas compressibility factor, and activity coefficient, and

residual thermodynamic functions are presented in Table 1.2-13.
The compressibility factor was calculated from the equation of state:
U = Z = Zh + Za; Zh = 1+ (3a - 2)g + pot* - 3a + l)t

Ki **
(i - zr
Z-- S m=l
n=l z mD nm'kkT'/ ^ V /
where Z - 0.740A8 Vu/V; v" - V°0[l - C exp(-3uu/kT)]J;
ij
k
D are universal constants, V00, C, a, u°/k, and n/k are the characteristic
nm
constants given below, R, V, P, T, are, respectively, the gas constant, the
3
molar volume (cm /mol), the pressure (bar), and the temperature (K). The
difference between the thermodynamic functions for the real fluid and the
functions for the ideal gas at the same temperature and pressure or volume
(the residual functions) were calculated from the following equations:
The fugacity coefficient, <£ = f(T,P)/P and the residual Gibbs entropy,
G, are:
In * - . to2 . D ln(1 . c) + fa2 + *.)? - 30 ?2
RT (1 - C)2
id
H - H 1(K\
The residual enthalpy is: « V3Tjv (1 - Z)
RT
+ y n-1
Z m=l
Z nDnraVkT y ' V /
+ z - 1;
1-38
N S T I T U T E OF GAS TECHNOLOGY
1/80 61003
9Cu° [exp(3u°/kT) - C]"1;

where !(!i)v kT
v . L+-.l,nLYT
y i + n/kT
S H - H id G - cld H
-Hld
The residual entropy Is: •> Id ^
RT RT RT
Universal Constants,/)__
* nnt Characteristic Constants
0,1 - -8.8043 K00 = 41.42 cm3 mol’1

Z>,2 ■ -3.354992
C- 0.12
2),3 - +47.70469
a - 1.037
0,4 = -144.3665
Z>15 « + 115.8271 u°/k = 457.94 K
02i ■ +2.9396 V* - 61 K
022 = ♦4.251362
*>23 ' -49.67929
024 = +67.66158
^5 ° + 150.4301
026 = -370.4601
027 = + 157.1788
°28 ' -+50.60296
031 = -2.8225
032 = +3.300523
033 = +4.380493
034 = -5.818190
041 ‘ +0.3400
042 “ -0.8174686
043 “ +0.5433256
Notes: The constants D were obtained by fitting to the second virial

nm
coefficients of argon and the saturated liquid and vapor pressures
and volumes of ethane from the reduced temperature T/Tc • 0.29
to T/Tc = 1. They are particularly useful for substances for which
only the data for the liquid state are available.
At 1/V = 0 all the residual functions are equal to zero and Z = <|> = 1.
In the following tables, the values below the critical temperature

are given for the liquid and the vapor phase. Except in the vicinity
of the critical point, the relations are approximately valid from
P = 0 up to very high pressures and temperatures.
1-39
1/80
Table 1.2-13. COMPRESSIBILITY I"CTOR, FUGACITY COEFFICIENT, AND RESIDUAL THERMODYNAMIC
FUNCTIONS OF THE REAL FLUID, — FURAN
in
i6 1.01325° 2° 3°
//bat
H-lf* j-j- H - H* 3-3*° H ■ ft* S-S* Cp-tf H - W*° i-j*

C> Cp z 4*
♦ ♦ ♦
RT R ft RT ft ft RT ft ft RT ft
C 04)056 0.376 -11.1 -10.1 0.0047 0.253 -11.1 -9.74
29S.1S 0.0029 0.7S4 -11.12 -I0J 0.0030 0.745 -11.1 -10J
0J04 -10.4 04)029 0.797 -11.0 -10.6 04)056 0,405 -114) -10.1 0.0047 0.271 -11.0 -9.71
300 0.0029 -114)
0.9771 0.9776 -0.07J4 -0.0527 0.9744 0.9773 -0.0765 -0.05)5 04)056 0.794 -10.0 -9.77 04)044 0.53) -10.0 -9.37
330
m 0.9414 -04)409 -04)423 0.9410 0.941) -0.0417 -04)429 0.9619 0.9632 -0.1239 -0.0464 0.0042 0.952 -9.12 -947
340 0.9413
340 0.904S 0.9447 -0.0499 -0.034$ 0.9443 0.944$ -0.0306 -04)350 0.9445 0.9694 -0.1013 -04)702 0.9522 0.9542 -0.1541 -0.1072
340 0.9470 0.9471 -04)414 -04)244 0.9446 0.9449 -04)421 -04)290 0.97)7 0.9743 -0.0440 -0.0560 0.9401 0.9415 -0.1275 -04442
0.9491 -04)350 -04)240 0.9446 0.9469 -0.0355 -04)243 09777 0.9761 -04)707 -04)444 0.9463 0.9672 -0.1070 -04737
400 0.9449
0.9903 0.9906 -04)204 0.9904 0.9905 -0.0302 -04)207 0.9409 0.9613 -0.0601 -04H12 0.9712 04719 -04909 -04624
420 -0.0294
O 440 0.9914 0.9919 -04)257 -04)175 0.9917 0.9914 -0.0260 -0.0174 0.9634 0.94)6 -0.0517 -04)353 0.9752 0.9757 -04740 -04535
0.9929 -04)223 -04)152 0.9926 0.9929 -0.0224 -04)154 0.9457 0.9459 -0.0441 -04)304 0.9765 0.9749 -04674 -04463
-n 440 0.9929
-04)13) 0.9937 09937 -04)196 -04)135 0.9475 0.9477 -0.0392 -0.0264 0.96J2 0.96 J$ -04591 -04404
440 0.9934 0.9934 -04)195
C 0.9427 -04553 -04379
490.2- 0.9942 0.9942 -04)143 -0.0125 0.9941 0.9941 -04)165 -04)126 0.9463 0.9465 -04)347 -04)251 0.9425
1-40
0.9943 0.9944 -0.0172 -0.0114 0.9945 0.9945 -04)174 -04)119 0.9691 0.9692 -0.0345 -0.0236 0.9435 0.9634 -04520 -04356
SOO
0.9932 -04)153 -04)104 0.9951 0.9951 -0.0155 -04)104 0.9903 0.9904 -0.0304 -04)210 0.9455 0.9454 -04441 -04316
S20 0.99S2
0.9957 -0.009) 0.9957 0.9957 -0.0136 -0.0093 0.9914 0.9915 -0.0273 -04)166 0.9471 0.9473 -04411 -04262
340 0.99S7 -04)134
-04)044 0.9942 0.9942 -04)124 -04)045 0.9924 0.9924 -04)245 -0.0169 0.9666 0.9607 -0.0364 -04254
> 540 0.9942 0.9942 -0.0122
-04)074 0.9944 0.9966 -04)111 -0.0077 09932 0.9932 -04)220 -00153 0.9696 0.9499 -04331 -04230
$40 0.9964 0.9944 -04)110
</> 400 0.9970 0.9970 -04)100 -04)049 0.9949 0.9949 -04)101 -0.0070 0.9939 0.9939 -04)199 -04)139 0.9909 0.9909 -04300 -04209
0.9972 0.9972 -0.0092 -04)044 0.9945 0.9944 -0.0161 -04)127 0.9916 0.9919 -04272 -04190
420 0.9973 0.9973 -04)090 -04)043
-04)056 0.9975 0.9975 -0.0044 -04)059 0.9951 0.9951 -0.0145 -04)114 0.9924 0.9927 -04244 -04174
440 0.9976 0.9976 -0.0042
0.9974 -04)07$ -04)05) 0.9974 0.9976 -04)076 -04)054 0.9954 0.9954 -04)151 -04)107 0.9934 0.9934 -04227 -04160
440 0.9974
-0.0064 -04)044 0.9942 0.9942 -0.0064 -04)044 0.9944 0.9944 -0.0127 -04)091 0.9946- 0.9944 -04)91 -04137
700 0.9942 0.9942
-04)04) -04)032 0.9949 0.9949 -0.0044 -04)03) 0.9974 0.9974 -0.0047 -0.0045 0.9967 0.9967 -04130 -04097
400 0.9949 0.9949
0.999) -04)031 -04)024 0.9967 0.9947 -0.0041 -0.0046 0.9940 0.9940 -04092 -04072
m 900 0.9993 0.9993 -04)0)1 -04)024 0.999)
-04)019 0.9996 0.9994 -04)023 -04)019 0.9992 0.9992 -0.004S -04)037 0.9909 0.9949 -04067 -04056
1000 0.9996 0.9994 -04)023
O
x
z " Ref 1.
b Dashed line separates liquid and gas phases.
o c Critical temperature.
r
o References
61003
o 1. Zwolinski, B. J.. et al. "Selected Values of Properties of Chemical
Compounds." Thermodynamic Research Center Data Project, Texas ASM
■<
University, College Station, Texas, (loose-leaf data sheets, extant
1976). Calculated, correlated and estimated values as well as
published values.
1/80
Table 1.2^13. (CONT.) COMPRESSIBILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL THERMODYNAMIC
z
FUNCTIONS OF THE REAL FLUID,3 - FURAN
cn
Pfbu -*• 30^ «ob 50* 100**
H-//- S-S* Cp-cf H - H* J-S- £>-<7i H - If* s-s« Cp-C# S-S*

m z it> z 4> *
RT R R RT R R RT R R RT R
C 2M.IS 0.0860 0.0273 -III -7.47 0.1142 0.0211 -11.1 -7.20 0.0174
0.1422 -114 -6.98 0.2797 04100 -114 -645
MO 0SIS7 04293 -114 -744 0.1138 04226 -11.0 -7.16 0.1416 04186 -10.9 -6.95 0.2786 04107 -104 -641
320 0.0821 04S7S -9.96 -7.10 0.1098 0.0443 -9.95 -643 0.1366 0.0364 -9.93 -642 0.2680 04209 -946 -5.99
m 340 0.0804 0.102 -949 -641 0.1066 04789 -9.06 -6.54 0.1325 0.0648 -947 -643 0.2594 04369 -940 -5.70
340 0.0786 0.168 -8J2 -644 0.1041 0.1M -8.31 -6.27 0.1294 0.106 -8.31 -647 0.2S2S 04605 -8.25 -545
300 0J)774 04S9 -743 -6.28 0.1025 0.199 -743 -642 0.1273 0.164 -742 -541 0.2473 04928 -749 -541
400 0.0770 0.377 -740 -642 0.1018 0.290 -7.00 -5.76 0.1262 0.238 -740 -546 0.2439 0.135 -6.98 -4.98
420 0^)775 0423 -6.40 -5.75 0.1022 0403 -6.40 -5.49 0.1264 0.330 -6.41 -5.30 0.2425 0.187 -6.42 -4.74
O 440 0.0794 0495 -540 -5.43 0.1043 0435 -542 -5.19 0.129 0.439 -5.83 -5.01 0.243 0449 -548 -449
460 0.7431 0.7939 -04368 -040M 0.1095 0483 -5.19 -441 0.134 0462 -5.23 -4.66 0.248 0.319 -545 -441
400 0.78SS 04201 -04981 -0.4998 04904 0.762 -1429 -0.757 0.148 0.692 -441 -4.15 0.257 0497 -441 -348
490J C
0J028 04318 -04419 -0.4577 0.7199 0.777 -0.930 -0478 0416 0.723 -1414 -0.989 0.265 0.437 -441 -349
SOO 04175 04420 -04946 -04227 0.7437 0.791 -0451 -0416 0457 0.740 -1.169 -0468 0.277 0.477 -440 -346
1-41
S20 0.8428 04M5 -04141 -0.3639 0.7828 0416 -0.723 -0.519 0.717 0.772 -0.962 -0.703 0426 0454 -341 -242
540 0J633 04762 -0.4496 -0.3175 04132 0437 -0424 -0.446 0.761 0.798 -0417 -0491 0.4M 0418 -243 -145
540 04802 04898 -0.3968 -0.2801 04377 0455 -0446 -0.389 0.7940 0421 -0.707 -0409 04742 0464 -1.74 -143
>
SM 0J94S 0.9016 -0.3529 -0.2493 04578 0470 -0.483 -0.344 04208 0440 -0420 -0.445 04468 0.702 -1.42 -147
c/> M0 0.9066 0.9118 -0.3160 -0.2237 04747 0484 -0.430 -0.307 0.8430 0457 -0449 -0494 04995 0.733 -1.21 -0495
<20 0.9169 0.9206 -0.2844 -04020 04891 0496 -0.386 -0475 04615 0471 -0490 -0452 0.740S 0.761 -1446 -0.773
<40 042S9 0.9288 -OJS73 -0.1834 0.9014 0.906 -0.348 -0.249 04773 0484 -0.440 -0417 0.7737 0.785 -0.921 -0479
MO 0.9337 0.9358 -0.2338 -0.1674 0.9120 0.915 -0.315 -0.227 04909 0.896 -0.398 -0.287 0.8013 0406 -0420 -0404
700 0.9467 0.9477 -4.1951 -0.1414 0.9295 0.931 -0.262 -0.190 0.9129 0.9IS -0.329 -0.240 04446 0.842 -0464 -0492
•00 0.9683 0.9682 -0.1305 -04982 0.9585 0.956 -0.174 -0.131 0.9492 0.948 -0.218 -0.164 0.9128 0.904 -4427 -0426
900 0.9813 0.9808 -04916 -04725 0.9756 0.975 -0.122 -04965 0.9704 0.969 -0.152 -0.120 0.9514 0.943 -4.294 -0.235
m
1000 0J89S 0.9890 -04668 -04SS7 0.9864 0.986 -04865 -04740 0.9837 0.982 -0.110 -04922 0.9753 0.968 -0411 -0.179
n
i
z * Ref 1.
^ Dashed line separates liquid and gas phases.
o
Q
Critical temperature.
I”
o References
61003
o 1. Zwolinski, B. J., et al. "Selected Values of Properties of Chemical
-< Compounds," Thermodynamic Research Center Data Project, Texas A&M
published values.
1/80
z
Table 1.2^13 (CONT.) COMPRESSIBILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL THERMODYNAMIC
2S0b SOO6 1000° soooP

H-it* S-S* H - it* I-S"1 Cp-Cp H-lt* S-S* c,-<$ H-H* $-5*
T/K z ♦ ♦ * z $
291.1 S 0.6793 0.0060 -10.7 -547 1.322 04059 -104 -5.05 2.563 0.0108 -9.16 -443 11.76 364 -0481 -4.18
300 0.6764 0.0065 -104 -543 1414 04063 -10.1 -542 2.551 0.0115 -947 -4.60 1149 364 -0448 -4.15
320 0.6474 04124 -941 -542 1455 04117 -9.17 -4.72 2.422 04200 -8.23 -4.31 1142 374 -0.241 -386
340 04229 0.0216 -8.79 -445 1.201 04199 -8.38 -4.47 2.309 04322 -7.51 -447 1043 37.7 -0801 -343
340 0.6023 04350 -847 -4.72 1.155 0.0315 -7.70 -4.25 2.21 04486 -689 -387 9898 374 <0.189 -344
3t0 0.5853 04532 -7.43 -440 1.115 04470 -7.11 -4.05 2.122 0.0696 -6.36 -349 9425 374 0442 -347
0.467 -3.12
o 400 04716 0.0767 -444 -440 1.081 04668 -648 -387 2.044 0.0952 -588 -343 8499 364
420 04610 0.106 -4.35 -4.10 1452 04910 -6.10 -3.70 1.975 0.126 -546 -348 8413 354 0.570 -2.99
~n -547 -3.54 1.913 0.160 -548 -345 8.262 344 0457 -288
440 0454 0.141 -547 -3.90 1427 0.120
440 0450 0.181 -5.42 -3.71 1406 0.153 -5.27 -349 1.858 0.200 -4.73 -3.12 7.942 334 0.730 -2.78
0.550 0426 -4.99 -340 0.989 0.189 -4.90 -3.23 1.809 0.242 -4.42 -340 7448 324 0.792 -2.68
400 c
z*l-
490.2 0451 0450 -4.77 -3.39 0.982 0410 -4.72 -3.15 1.786 0.266 -447 -2.94 7407 31.7 0821 -244
0454 04742 -447 -348 0.977 0.230 -4.55 -3.08 1.766 0489 -4.13 -288 7478 314 0846 -249
SOO
S20 0443 0.3255 -4.17 -344 0.968 0.273 -4.22 -2.92 1.727 0.338 -386 -2.77 7.128 30.1 0893 -241
> 540 0479 04780 -3.76 -2.79 0.963 0418 -3.91 -2.76 1493 0.389 -341 -246 6897 29.1 0.934 -2.44
c/> 0.6011 04303 -3.36 -242 0.962 0464 -341 -240 1463 0.441 -3-37 -245 6483 28.1 0.970 -247
540
04306 0.4809 -247 -244 0.965 0.412 -3.33 -2.44 1437 0.494 -3.15 -2.44 6483 27.2 180 -240
S80
0.6656 04285 -241 -1.97 0.971 0.459 -345 -248 1415 0448 -2.94 -2.34 6498 264 1.03 -2.34
600
620 0.7028 04726 -248 -1.72 0.980 0405 -2.80 -2.11 1.596 0402 -2.74 -2.23 6.124 25.4 186 -2.18
0.7392 04128 -240 -141 0.992 0.550 -2.55 -1.95 1480 0454 -245 -2.13 5.962 244 188 -2.12
440
1467 0.706 -2.37 -242 5809 23.7 1.10 -287
H 440 0.7728 04494 -1.77 -144 1406 0492 -2.32 -180
700 0.8293 0.7128 -1.41 -147 1436 0.671 -1.92 -142 1448 0.803 -244 -182 5432 224 1.14 -186
m 800 0.9217 04280 -0483 -0495 1.101 0825 -142 -1.03 1428 1.007 -1.37 -1.38 4465 19.0 140 -1.74
1.139 -0.820 -0.746 1.521 1.150 -0.904 -1.04 4433 164 145 -145
O 900 0.9741 0.9026 -0402 -0.499 0.929
1.006 04525 -0429 -0481 1.159 0.999 -0473 -0472 1412 1.244 -0491 -0810 4.194 144 149 -148
1000
X
z
o
a Ref 1.
r b Dashed line separates liquid and gas phases,
o c
Critical temperature.
61003
o References
■< 1. Zwolinski, B. J., et al. "Selected Values of Properties of Chemical
Compounds," Thermodynamic Research Center Data Project, Texas A&M
published values.
z
Table I.2^13. (CONT.) COMPRESSIBILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL THERMODYNAMIC
</>
H
p/b*f-» «b s6 IO6 20°
H-H* s-r"1 H-H** S- j* fp-Cp H -H* S-J"* Cp-Cp 5-5*

T/K 4 4>
.♦
mas 02)116 0.190 >11.1 -945 09146 0.153 -11.1 -9.23 0.0290 0.0774 -11.) -8.55 04377 04399 -11.1 -746
300 02)116 0.204 -112) -9.42 09145 0.164 -112) -9.20 0.0289 O.OS29 -11.0 -8.51 04573 0.0427 -114 -743
320 02)012 0.401 -102) -9.08 09140 0.322 -10.0 -8.86 02)279 0.163 -9.99 -8.18 04355 0.0839 -9.97 -740
340 0.0109 0.716 -9.12 -8.79 09136 0.574 -9.12 -8.56 0.0271 0.291 -9.11 -7.88 04339 0.130 -9.10 -7.20
360 0J334 09390 -09086 -0.1457 0.9180 0.9238 -0.2649 -0.1857 0.0266 0.479 -8.34 -741 00528 0.2a -8.33 -6.93
300 0.9462 0.9487 -0.1721 -0.1194 0.9320 0.9359 -0.2179 -0.1317 02)262 0.738 -744 -7.34 04320 0.379 -744 -647
o 400 09346 09364 -0.1441 -09995 0.9428 0.9435 -0.1820 -0.1260 04795 04917 -0.3832 -0.2703 00518 0.551 -740 -640
Tl 420 09413 0.9626 -0.1222 -09841 0.9513 0.9333 -0.1340 -0.1062 04986 0.9071 -0.3223 -0.2249 00523 0.764 -6.39 -6.12
440 0.9668 0.9677 -0.1047 -0.0719 0.9382 0.9597 -0.1318 -02)906 0.9137 0.9198 -0.2736 -0.1900 08131 04409 -04002 -0.4269
460 09712 0.9719 -02)907 -0.0621 0.9638 0.9649 -0.1140 -0.0782 0.9238 0.9302 -0.2350 -0.1627 04422 04617 -04053 -0.3367
400 0.9749 09734 -02)791 -09342 0.9685 0.9693 -0.0994 -0.0682 0.9357 0.9389 -0.2039 -0.1409 04651 04791 -0.4325 -0.3036
1-43
490.2 0.9763 09770 -09741 -09308 0.9706 0.9712 -0.0930 -0.0638 0.9400 0.9428 -0.1904 -0.1315 04749 04868 -0.4013 -0.2812
300 09780 0.9784 -09696 -02)477 0.9724 0.9730 -02)874 -0.0600 0.9438 0.9463 -0.1785 -0.1233 08834 04936 -0.37a -04621
0.9737 0.9761 -0.0773 -02)532 0.9507 0.9525 -0.1575 -0.1088 04984 0.9060 -03277 -04290
> 320 0.9806 0.9809 -09616 -02)423
340 0.9828 09830 -09349 -09378 0.9785 0.9788 -0.0689 -0.0474 0.9565 0.9379 -0.1398 -04968 091’.0 0.9166 -04891 -04020
</> 0.9847 -02)492 -09340 0.9809 0.9811 -0.0616 -02)426 0.9614 0.9625 -0.1249 -0.0867 09215 09257 -0.2568 -0.1797
360 09849
300 0.9864 0.9863 -02)443 -09307 0.9830 0.9832 -02)555 -02)383 0.9657 0.9663 -0.1122 -04781 09303 09337 -04296 -01610
600 0.9878 09879 -02)400 -09279 0.9848 0.9049 -02)301 -02)349 0.9694 0.9700 -0.1012 -0.0707 09382 09406 -04065 -01452
620 0.9891 0.9892 -09363 -09234 0.9863 0.9863 -0.0453 -0.0319 0.9726 0.9730 -0.0917 -0.0644 0.94a 0.9a? -0.1865 -0.1317
640 0.9902 0.9902 -0933) -09233 0.9877 0.9878 -0.0414 -0.0292 0.9754 0.9758 -0.0834 -04389 09307 09320 -01692 -0.1200
660 0.9912 0.9912 -09303 -09214 0.9890 0.9890 -02)379 -0.0268 0.9779 0.9782 -04762 -04341 09557 09568 -01341 -01099
-0.0229 0.9820 0.9822 -0464) -04461 09642 09647 -0.1291 -04932

m 700 0.9928 09928 -09233 -09183 0.9910 0.9911 -0.0319
•00 0.9936 0.9936 -09173 -09130 0.9946 0.9946 -0.0217 -02)162 0.9892 0.9892 -0.0434 -04325 09786 0.9786 -04869 -04633
n 900 0.9974 09974 -09123 -09097 0.9967 0.9967 -02)134 -02)121 0.9933 0.9935 -04307 -0.0242 09872 09871 -04613 -ooas
-09090 0.9981 0.9981 -02)112 -02)093 0.9963 0.9962 -04224 -0.0187 09927 09926 -04447 -04372
x 1000 0.9983 09983 -02)073
z
o * Ref 1.
r k Dashed line separates liquid and gas phases.
c Critical temperature.
o
o References
-< 1. Zwolinski, B. J., et al. "Selected Values of Properties of Chemical
published values.
1/80 61003
d. Thermodynamic Properties of Tetrahydrofuran
1) Saturated Liquid
The correlation used for calculating the heat capacity at saturation is:
C = A + BT + CT2 + DT3 + ET4
s
where: Cg = heat capacity at saturation, J/mol K
A, B, C, D, E are constants, values of which are tabulated below.
Temperature Range
K A B C D E
96.31 X 10-5 -7.95 X 10~7

Crystal 0-16 0 0 0
72.9404 X 10~3 -128.518 X 10"5 76.497 X 10-7
16-55 1.915 -0.74577
-65.6739 X 10-3 45.4103 X IO-5 -11.761 X 10“7
55-120 -80.933 4.59141
Liquid -77.048 X 10-3 42.106 X 10-5 -8.398 X 10-7
120-164.76 -149.69 6.4240
16.041 X 10"3 -2.604 X 10-5
164.76-200 322.07 -3.2402 0
3.536 X 10-3 -0.3328 X 10-5
200-320 185.21 -0.9632 0
Other properties were calculated from the equation for Cg using

standard thermodynamic relationships.
1-44

1/80 61003
Table 1.2-14. THERMODYNAMIC PROPERTIES OF CONDENSED

PHASES a - TETRAHYDROFURAN

Heat Capacity, Entropy, Enthalpy," Function.^ Function,b
_____________ fs__________________fs_ Hs - ”0 CHS - «g)/r (Gs - Hg)/T
K J BOl'1 K-1 J mol*1 J mol"1 K*1
CrysLal
5 0.117 0.024 .03 .006 .004
10 0.900 0.301 2.3 .230 .070
15 3.200 1.067 12.2 .813 .260
20 7.190 2.508 37.6 1.88 .630
25 11.77 4.585 84.5 3.38 1.20
30 17.20 7.203 156.7 5.22 1.98
35 21.61 10.19 253.8 7.25 2.94
40 25.90 13.36 372.8 9.32 4.04
45 30.11 16.65 512.8 11.40 5.26
SO 34.16 20.04 673.6 13.47 6.57
60 41.10 26.90 1051.0 17.52 9.38
70 46.00 33.61 1487.0 21.24 12.37
80 50.42 40.05 1969.0 24.61 15.42
90 54.34 46.23 2495.0 27.72 18.51
100 57.88 52.14 3056.0 30.56 21.58
110 61.55 57.84 3653.0 33.21 24.62
120 65.21 63.34 4287.0 35.72 27.62
130 68.09 68.70 4956.0 38.12 30.57
140 72.56 73.93 5662.0 40.44 33.49
150 76.24 79.06 6407.0 42.71 36.35
160 . 79.91 84.10 7187.0 44.92 39.18
164.76 81.65 86.47 7572.0 45.96 40.51
Liquid
164.76b 40.51
107.4 138.3 16110.0 97.78
170 106.9 141.6 16670.0 98.06 43.58
180 106.7 147.7 17740.0 98.56 49.19
190 106.9 153.5 18810.0 99.00 54.53
200 107.3 159.0 19880.0 99.40 59.60
210 107.9 164.3 20950.0 99.76 64.48
220 109.0 169.3 22040.0 100.18 69.14
230 110.5 174.2 23130.0 100.57 73.61
240 111.8 179.0 24240.0 101.00 77.88
250 113.4 183.4 25370.0 101.48 82.00
260 115.3 187.9 26510.0 101.96 86.00
270 117.3 192.4 2768C.0 102.52 89.85
273.15 118.0 193.7 28030.0 102.62 91.09
280 119.5 196.7 28800.0 102.86 93.61
290 122.0 200.9 30070.0 103.69 97.21
298.15 123.9 203.9 31070.0 104.21 99.68
300 124.4 205.1 31300.0 104.33 100.73
310 127.3 211.3 32560.0 105.03 104.19
320 130.0 213.3 33850.0 105.78 107.53
* Ref. 1.
b Triple Point.
References
1. Lebedev, B. V., Rabinovich, I. B., Milov, V. I. and Lityagov , V. Y.

J. Chem. Thermodyn. 10 321 (1978).
SI UNITS
1-45
1/80 61003
Table 1.2-15. IDEAL GAS THERMODYNAMIC PROPERTIES3 - TETRAHYDROFURAN
Gibbs Enthalpy 'Ibbs Energy Equlllbrlua

Temoeracure Capacity Entropy Function Enthalp? Formation Formation Formation
*•
K
V J
S®
K'1 nol -l
-(c6-ir®)/r
"
o o
* "o
tHf0
kJ BOl"1
tCf0 log Kf
0 0.00 0.00 0.00 0.00 •156.33 -156.33 Infinite

SO 37.39 214.47 177.62 1.84 -163.65 -153.05 159.888
100 40.41 241.21 203.41 3.78 -166.94 -141.21 73.760
150 44.89 258.37 219.01 5.90 -170.83 -127.53 44.409
200 52.35 272.22 230.62 8.32 -175.25 -112.48 29.377
273.15 69.49 290.90 244.28 12.74 -181.95 -88.31 16.887
298.15 76.53 297.29 248.45 14.56 -184.18 -79.68 13.960
300 77.06 297.77 248.76 14.70 -184.34 -79.03 13.760
400 106.70 323.99 264.26 23.89 -192.40 -42.71 5.577
500 133.99 350.81 278.89 35.96 -198.88 -4.46 0.466
600 157.09 377.34 293.10 50.55 -203.90 34.91 -3.039
700 176.39 403.05 306.98 67.25 -207.67 75.05 -5.601
800 192.61 427.70 320.54 85.72 -210.37 115.56 -7.545
900 206.33 451.20 333.76 105.69 -212.16 156.51 -9.083
1000 218.01 473.56 346.63 126.92 -213.13 197.58 -10.320
1100 227.99 494.82 359.15 149.23 -213.44 238.49 -11.325
1200 236.54 515.03 371.30 172.47 -213.28 279.54 -12.168
1300 243.89 534.26 383.10 196.50 -212.73 320.73 -12.887
1400 250.22 552.57 394.56 221.22 -211.85 362.01 •13.506
1S00 255.69 570.03 405.68 246.52 -210.70 402.82 -14.027
a Ref 1, 2, 3. 4, 5, 6.
References
1. Davidson, R. and Warsop, P. A. J. Chen. Soc. Faraday Trans. II 68.

1875 (1972).
2. Engerholm, G. C., Luntz, A. C., Gwinn, U. D. and Harris, D. 0.

J. Chem. Phvs. 50. 2446 (1969).
3. Eyster, J. M. and Prohafsky, E. W. Spectrochlm Acta Part A 30.

2041 (1974).
4. Palm, A. and Bissell, E. R. Spectrochlm Acta 16. 459 (1960).
5. Schornack, L. G. and Eckert, C. A. J. Phvs. Chem. 74. 3014 (1970).
6. Scott, D. W. J. Chem. Thermodyn. 2 833 (1970).
SI UNITS
1-46
1/80 61003
3) Second Vlrial Coefficient and its Temperature

The correlation used to calculate the second virial coefficient is:

Bv(m3 mol"1) = 2i/*{«R1 - (1 - fl^fexpCUy/cr) - i] - - l)[exp(-uAr) - 1]
- (fl3 - «2)[exp(-0.21 u/kT) - 1]}
3
where: B = second virial coefficient, m /mol
_v
u/k = -1005.
V = 84.4 X 10-6
Rx = 0.7, R2 = 1.13, R3 = 4.97

1-47
1/80 61003
Table 1.2-16. SECOND VIRIAL COEFFICIENT AND ITS TEMPERATURE

DERIVATIVES3 - TETRAHYDROFURAN
Trap., t Second Vlrial First Temperature Second Temperature
Coefficient^' Derivative'5 Derivative'5
dpBy
dB
b V
~d?
r Bv dT
nol ^ x 10^ ■’■or1 k-1 * ioP ■’■or1 i^xio6
K
223.15 -2813. 47.1 -1.3

233.15 -2399. 36.4 -0.90
243.15 -2075. 28.8 -0.65
253.15 -1817. 23.1 -0.48
263.15 -1608. 18.9 -0.37

273.15 -1435. 15.7 -0.28
283.15 -1292. 13.1 -V.22
293.15 -1171. 11.2 -0.18
298.15 -1117. 10.3 -0.16
303.15 -1067. 9.6 -0.14
313.15 -978. 8.3 -0.12
\o
1
323.15 7.2 -0.096

o
333.15 -833. 6.4 -0.080

339.11 -797. 5.9 -0.072
343.15 -773. 5.6 -0.067
353.15 -720. 5.0 -0.056
363.15 -673. 4.5 -0.048
373.15 -630. 4.0 -0.041
383.15 -591. 3.7 -0.036
393.15 -557. 3.3 -0.031

403.15 -525. 3.0 -0.027
413.15 -496. 2.8 -0.024
423.15 -469. 2.6 -0.021
433.15 -445. 2.4 -0.019
443.15 -422. 2.2 -0.017
453.15 -401. 2.0 -0.015
463.15 -381. 1.9 -0.013
473.15 -363. 1.8 -0.012
483.15 -346. 1.6 -0.011

493.15 -330. 1.5 -0.010
503.15 -316. 1.4 -0.009
513.15 -302. 1.4 -0.008
523.15 -289. 1.3 -0.008
533.15 -276. 1.2 -0.007
3 Ref 1, 2, 3.
b dB d2B.
(T)
Values of --- and are calculated using the B equation.
dT dT2
SI UNITS
1-48
1/80 61003
References
1. Eon, C., Pommier, C. and Guiochon, G. J. Chem. Eng. Data 16, 408 (1971).
2. Guthrie, G. B., Jr., Scott, D. W., Hubbard, W. N., Katz, C.,

McCullough, J. P., Gross, M. E., Williamson, K. D. and Waddington, G.
J. Am. Chem. Soc. 74, 4662 (1952).
3. Zwolinski, B. J. et al. "Selected Values of Properties of Chemical

published values.
1-49
1/80 61003
4) Real Gas Properties
Correlations
The real gas compressibility factor, and activity coefficient, and

residual thermodynamic functions are presented in Table 1.2-17.
The compressibility factor was calculated from the equation of state:
+ Za- Zh = 1 + Oa - 2)S + (3a - 3ct + 1)£2 - ct2g3

IV . z
RT * 1 «
(i - cr
Z® = I Z mD (-g-) n (
/—„o \Yl
m
n-1 m=l nmVkkT^ V V ^
where C - 0.74048 V°/V; V° = V°0[l - C exp(-3u°/kT)]3;
D are universal constants, V00, C, a, u°/k, and n/k ate the characteristic
nm
constants given below, R, V, P, T, are, respectively, the gas constant, the
2
molar volume (cm /mol), the pressure (bar), and the temperature (K). The
difference between the thermodynamic functions for the real fluid and the
functions for the ideal gas at the same temperature and pressure or volume
(the residual functions) were calculated from the following equations:
The fugacity coefficient, * f(T,P)/P and the residual Gibbs entropy,

G, are:
ln 4> - " (a2 - 1) ln(l - £) + -(ot2-* ^ ~23a 52
id
H - H
The residual enthalpy is:
RT I (!x)v a ■z>
m
+ y Z Z
n*l m-1
+ Z - 1;
1-50
1/80 61003
vh,re Ki)v [exp(3u°/kT) - C]”1;
1+2 n/kT
y " ' 1"+ n/kT
-Gid
The residual entropy is:
S H - Hid G H
■Hld
RT RT RT
In ^
Universal Constants, D
nm Characteristic Constants
Z>,, - -8.8043
V00 « 48.49 cm3 mol'1
012 « —3.354992
0,3 = ♦47.70469 C« 0.12
0U = -144.3665 a - 1.037
0,5 = +115.8271 u°/k . 500.43 K
021 " +2.9396
V* - 70 K
022 * +4.251362
023 = -49.67929
024 = +67.66158
025 * ♦ 150.4301
D16 " -370.4601
027 = ♦ 157.1788
Z>28 “ +50.60296
031 = -2.8225
032 “ +3.300523
033 = +4.380493
034 * -5.818190
041 * ♦03400
042 " -0.8174686
043 “ +0.5433256
Notes: The constants D were obtained by fitting to the second virial

nm
coefficients of argon and the saturated liquid and vapor pressures
and volumes of ethane from the reduced temperature T/Tc = 0.29
to T/Tc = 1. They are particularly useful for substances for which
only the data for the liquid state are available.
At 1/V = 0 all the residual functions are equal to zero and Z * <|> “ 1.
In the following tables, the values below the critical temperature
are given for the liquid and the vapor phase. Except in the vicinity
of the critical point, the relations are approximately valid from
P = 0 up to very high pressures and temperatures.
1-51
1/80
Table 1.2-17. COMPRESSIBILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL THERMODYNAMIC
Z FUNCTIONS OF THE REAL FLUID3 - TETRAHYDROFURAN
V*
H --------- .
I.OIMS0 * *
i*
H - H* S-S? c„-c? H-H* H ■ H* s-s* S-S*

cr 4> cp - 1p 2
—i 77 d> & 6
*T It It RT R R RT R R RT R R
0.0033 0.224 -12.9 -11.4 03)03) 0.221 -12.9 -11.4 0.0066 0.112 -12.9 -10.7 03)099 03)732 -12.9 -10.3
C
300 0.0033 0.243 -12.0 -11.4 0.00)3 0.239 -12.0 -11.4 0.0066 0.122 -12.0 -10.7 0.0090 03)014 -12.8 -10.3
320 0.0032 O.S33 -11.6 -11.0 0.0032 0.326 -11.6 -11.0 0.006) 0.267 -11.6 -10.3 0.0094 0.179 -11.6 -9JO
0.9273 0.9732 -0.0643 0.9721 0.9720 -03)920 -0.0632 0.0061 0.52) -10.6 '-9.94 03)091 0.350 -10.6 -9J4
m 340 -0.0913
0.9770 -0.0321 0.9770 0.9773 -0.0733 -0.0320 0.9530 0.9557 -0.1322 -0.1069 03)009 0925 -9.71 -9J4
360 0.9773 -0.0743
0.9014 -0.0420 0.9000 0.9011 -0.0624 -0.0433 0.9613 0.9620 -0.1252 -0.0074 0.9413 0.9444 -0.1913 -0.1341
300 0.9111 -0.0613
0.9040 0.9042 -0.0336 0.9939 0.9040 -0.0322 -0.0)61 0.9674 0.9605 -0.1045 -0.0725 0.9307 0.9529 -0.1391 -0.1100
400 -0.0313
0.9064 -OJ1300 0.9062 0.906) -0.0442 -03)304 0.9724 0.97)1 -03)083 -0.06)0 0.9302 0.9397 -0.1340 -03)929
420 0.9063 -0.0436
0.9003 0.9004 -0.0373 -0.0234 0.9001 0.9002 -0.0)70 -0.0260 0.976) 0.9760 -03)734 -0.0519 0.9641 0.9632 -0.1142 -03)700
O 440
440 0.9090 0.9099 -0.0322 -0.022! 0.9097 0.9090 -0.0327 -03)224 0.9795 0.9790 -0.0630 -0.0446 0.9690 0.9690 -03)90) -03)677
'n 0.9024 -0.0307 0.9730 0.9736 -03)034 -03)507

0.9911 0.9912 -0.0201 -0.0192 0.9910 0.9910 -0.0204 -0.0193 0.9821 -0.0365
0.9922 0.9922 0.9921 0.9921 -0.0250 -0.0171 0.9043 0.9043 -0.0496 -0.0339 0.9763 0.9760 -0.0748 -03)31)
300 -0.0246 -0.0160
0.9791 0.9795 -0.0640 -03)452

520 0.9931 0.9931 -0.0219 -0.0149 0.9930 0.9930 -0.0221 -0.0131 0.9061 0.906) -0.0430 -0.0300
0.9930 0.9077 0.9070 -0.0266 0.9015 0.9810 -03)506 -03)401

-52
| 340.1 0.9939 0.9939 -0.0193 -0.0132 0.9930 -0.0196 •0.0134 -03)309

52
0.9090 0.9891 -0.0230 0.90)5 0.90)7 -0.0323 -03)339

s
-0.0347
G
0.9943 0.9946 -0.0173 -0.0110 0.9943 0.9943 -0.0175 -0.0120
0.9931 0.9931 a99Sl -03)130 -0.0100 0.9902 0.9903 -0.0)12 -0.0214 0.9053 0.9834 -0.0470 -03)323
sso 0.9931 -0.0133 •0.0107
> 600 0.9869 -0.0423 -03)292
0.9936 0.9936 -0.0140 -0.0097 0.9936 0.9936 -0.0142 -0.0090 0.9912 0.991) -03)201 -0.0194 0.9060
0.9961 0.9961 -0.0127 -0.0000 0.9960 0.9960 -03)129 -03)009 0.9921 0.9922 -0.0233 -0.0176 0.9001 0.9002 -0.0)04 -03)263
C/l 620
640 0.9964 0.9963 -0.0116 -0.0000 0.9964 0.9964 -0.0117 -0.0001 0.9929 0.9929 -03)2)2 -03)161 OJ893 0.9894 -0.0349 -03)242
0.9967 0.9960 0.9936 0.9936 -03)212 -0.0147 09903 0.9904 -0.0)10 -03)222
660 0.9960 0.9960 -0.0106 -0.0074 -0.0107 -03)075
0.9942 0.9942 -03)194 -0.0136 0.991) 0.9913 -0.0291 -03)204

610 0.9971 0.9971 -0.0097 -0.0060 0.9971 0.9971 -0.0090 -0.0069
0.9974 0.9974 -0D089 0.9973 0.997) -0.0090 -03)063 0.9947 0.9947 -03)170 -0.0125 0.9921' 0.9921 -0.0260 -03)100
700 -0.0063
-0.0044 0.9967 0.9967 -0.0121 -0.0000 0.9930 0.9930 -03)101 -03)132

_| soo 0.9903 0.9903 -0J)060 -0.0044 0.9903 0.990) -0.0061
0.9979 0.9979 -0.0006 -0.0065 0.9969 0.9969 -0.0129 -ostwi

900 0.9909 0.9909 -0.0043 -0.0032 0.9909 0.9909 -0.0044 -03)0)3
m 1000 0.9907 0.9900 0.9900 -0.0093 -03)073
0.9993 0.9993 -0.0032 -0.0025 0.9993 0.9993 -0.0032 -0.0023 0.9987 -0.0063 -0.0030
I
a Ref 1.
^ k Dashed line separates liquid and gas phases.
O c Critical temperature.
References
o
1. Zwolinski, B. J., et al. "Selected Values of Properties of Chemical
61003
61 Compounds," Thermodynamic Research Center Data Project, Texas A&M
^ University, College Station, Texas, (loose-leaf data sheets, extant
published values.
1/80
Table 1.2-17. (CONT.) COMPRESSIBILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL
THERMODYNAMIC FUNCTIONS OF THE REAL FLUID3 - TETRAHYDROFURAN
<noP loocf SOOtP
S-S* Cs - J-S* Cf-cjf S-S* c,-<$ H-H* c,-ef

T7K z z *
9 9
*T * * MT ft ft ftl* ft ft *T ft ft
c 2H.IS o.r»» 0.0020 -12.4 -4.13 1411 0.0021 -III -5.41 2.943 0.0047 -10.4 -5.19 1341 70.7 -0.495 -4.75
MO 0.7C93 0.0021 -12.2 -449 1404 04023 -11.7 -547 2.927 04050 -10.4 -5.15 13.54 70.9 -0.455 -4.72
320 0.7330 0.0045 -IU -5.71 MM 04044 -10.4 -5.20 2.775 0.0095 -9.44 -4.70 12.75 72.1 -0.077 -4.3$
m 340 0.7033 0.000c -10.1 -5.39 1.345 04004 -9.45 -449 2.441 04144 -0.40 -4.49 12.04 714 *0413 -444
340 0.4770 0.0150 -9.32 -5.12 1.309 04145 -044 -443 2423 04242 -7.M -4.24 11.44 70.4 0.430 -342
300 0.CS44 0.0243 -040 -440 1440 042M -0.10 -4.40 2.410 04395 -744 -443 10.09 M4 041$ -341
400 0.C3SI 0.0371 -7.94 -444 1.214 04345 -7.57 -441 2.324 04545 -4.72 -344 10.39 44.1 0.754 -3.43
420 04100 0.0540 -7.39 -4.47 1.170 04493 -744 -443 2.240 04775 -444 -340 9.94 434 0470 -340
o 440 0.C0S4 04752 -447 -4.20 1.145 04474 -444 -344 2.144 0.103 -541 -343 943 404 0.943 -3.15
■n 440 0.5947 0.101 -4.39 -4.10 1.114 04094 -4.12 -3.71 2497 0.132 -543 -3.40 9.15 504 144 -342
410 0.507 aisi -5.95 -3.92 IM0 0.115 -5.72 -344 2435 0.145 -540 -347 •41 554 1.10 -2.92
$00 0.502 0.144 —544 -3.74 1449 0.145 -5.35 -3.42 1400 0401 -4.74 -3.15 0.49 53.1 1.14 -242
$20 0400 0.205 -5.15 -344 1451 0.177 -541 -340 1.9M 0J41 -4.47 -344 040 50.7 140 -2.73
-53
$40. i 0.501 0.247 -4.74 -3.37 1.034 0J13 -449 -3.14 1405 0404 -4.19 -2.93 7.93 40.4 1.24 -2.44
SCO 0.50C 0.292 -4.40 -3.17 1424 0.251 -4.30 -340 1444 0429 -344 -243 7 60 44.3 147 -244
SOO 0.5M 0.3M —444 -2.95 1.014 0.291 -4.10 -244 1400 0.374 -3.71 -2.73 7.44 444 140 -249
>
COO 0.610 0.305 -340 -2.72 1411 0.333 -3.02 -2.72 1.775 0.425 -3.49 -243 743 42.3 1.32 -2.42
cn
C20 04302 0432 -3.32 -249 1409 0.374 -3J4 -240 1.744 0.475 -340 -243 742 404 1.34 -2.M
440 04555 0.470 -2.M -2.24 1410 0.419 -3.M -243 1.720 0425 -340 -244 443 M4 1.34 -2.M
CCO 04049 0421 -2.44 -241 1414 0.442 -344 -2.29 1.700 0474 -2,09 -2.34 4.45 37.2 t.M -244
COO 0.7144 0441- -2.37 -1.79 1421 0404 -2.03 -2.14 1470 0424 -2.71 -245 4.40 35.7 1.39 -2.1*
700 0.7479 0.599 -2.11 -149 14M 0.544 -2.41 -240 1440 0474 -245 -2.15 4.32 34.3 1.40 -M3
•00 0.0720 0.740 -1.27 -0.973 1409 0.724 -1.71 -149 1405 0.M3 -141 -1.71 545 20.3 1.44 -140
0.9430 -0474 1.130 0.050 -1.15 -0.994 1403 1.001 5.14 23.9 1.47 -1.71
m M0 0043 -0445 -144 -143
1000 0.9072 0.909 -0.400 -0404 MM 0.949 -0400 •0.747 1472 1.21 -0454 -144 4.73 M.4 1.40 -144
0
1
z Ref 1.
b Dashed line separates liquid and (as phases.
o
c
Critical teaperature.
r
o References
61003
-< Compounds," Thermodynamic Research Center Data Project, Texas A&M
published values.
1/80
Table 1.2-17. (CONT.) COMPRESfABILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL
z
</>
//b«t ■* xf «0> so0 too1*
H - H* t-*- H tf*d s s* Cp - Cp H H* j-jjd Cp-Cp H - H* 4-5**

r/K z A 9 it>
-4 291.IS 0.0970 0.0062 -12.6 -8.05 0.1286 0.0064 -128 -7.77 0.1605 0.0053 -124 -746 0.1166 0.00)1 -12.7 -6.92
C SOO 0.0966 0.0069 -12.7 -6.01 0.1261 0.0069 -12.7 -7.73 0.1596 0.0057 -12.7 -742 0.3151 04031 -124 -646
120 0.0926 0.0194 -11.5 -7.61 0.1212 0.0150 -11.5 -7.31 0.1513 0.0124 -11.5 -7.12 0.3018 0.0072 -11.4 -6.46
140 0.0696 0.0179 -10.5 -7.27 0.1169 0.0291 -10.5 -7.00 0.1479 0.0242 -105 -6.79 0.2905 0.0140 -10.4 -6.15
-9.67 *6.50
m 160 0.0870 0.0676 -6.98 0.1151 0.0522 -9.66 -6.71 0.1414 0.0430 -9.64 0.2610 0.0248 -947 -547
1M 0.0649 0.112 -6.91 -6.71 0.1125 0.0661 -8.90 -6.44 0.1398 0.0709 -8.86 -6.24 0.2711 04407 -6.82 -542
400 0.0611 0.171 -6.22 -6.47 0.1101 0.114 -6.21 -6.20 0.1170 0.110 -6.20 -5.99 0.2666 0.0629 -6.15 -5.36
420 0.0822 0.2SS -7.60 -6.21 0.1086 0.196 -7.59 -5.96 0.1350 0.161 -749 -5.76 0.2520 04922 -745 -5.16
440 0.0618 0.1S6 -7.02 -5.99 0.1061 0.276 -7.02 -5.71 0.1140 0427 -741 -541 04587 0.129 -740 -445
460 0.0621 0.461 -6.46 -5.74 0.1065 0.172 -6.47 -5.46 0.1142 0.106 -6.47 -5.29 0.2571 0.174 -4.46 -4.73
O
460 0.0618 0.629 -5.92 -5.45 0.1102 0.485 -5.91 -5.21 0.116 0.199 -5.95 -5.01 0.258 0427 -5.99 -441
SOO 0.7061 0.7728 -0.9645 -0.7066 0.1142 0.611 -5.16 -4.89 0.140 0403 -5.41 -4.71 0.261 0.266 -541 -446
520 c 0.7S41 0.6000 -0.6047 -0.5816 0.1217 0.745 -4.71 -4.44 0.149 0.6IS -4.62 -4.31 0.267 0.154 -5.02 -146
540.1'X 0.7901 0.6229 -0.6669 -0.4920 0.7002 0.766 -1.005 -0.717 0462 0.706 -1.45 -1.11 0.260 0.424 -441 -145
vs-
$60 0.8161 0.6421 -0.5966 -0.4246 0.7459 0.792 -0451 -0417 0.661 0.741 -1.16 -0.661 0.105 0.494 -1.91 -142
SOO 0.6411 0.8S66 -0.5218 -0.1716 0.7810 0414 -0.716 -0.510 0.716 0.770 -0.976 -0.716 0.361 0460 -l.lt -249
600 0.6600 0.8711 -0.4642 -0.1287 0.6090 0411 -0445 -0.462 0.756 0.794 -0.644 -0413 0.477 0414 -2.11 -142
> 620 0.87S9 0.6660 -0.4145 -0.2914 0.6119 0.650 -0.571 -0.406 0.7870 0415 -0.719 -0414 0.5721 0456 -140 -1.16
-0.1724 -0.2616
cn 640 0.6694 0.6971 04511 0.665 -0410 -0.164 04126 0.633 -0455 -0.472 04163 0.691 -140 -1.11
660 0.9011 0.9069 -0.1165 -0.2166 0.6675 0477 -0.459 -0.128 0.6140 0449 -0466 -0.422 04661 0.721 -149 -0459
660 0.9112 0.91S6 -0.1055 -0.2174 04615 0.669 -0.415 -0.297 0.8522 0.841 -0427 -0.360 0.7276 0.746 -1.13 -0436
700 0.9201 0.9214 -0.2766 -0.1969 04917 0.699 -0.177 -0.271 0.6678 0476 -0.476 -0.345 0.7600 0.771 -140 -0.740
600 0.9S14 0.9520 -0.1641 -0.11SI 0.9160 0.917 -0.247 -0.162 0.9214 0.922 -0.110 -0.228 0.6619 0456 -041$ -0.460
900 0.9696 0.9695 -0.1291 -0.0981 0.9605 0.960 -0.172 -0.111 0.9519 0.951 -0.215 -0.164 0.9197 0409 -0.416 -0.121
1000 0.9614 0.9609 -0.0942 -0.0749 0.9759 0.97$ -0.125 -0.100 0.9706 0.969 -0.156 -0.124 0.9517 0.944 -0400 -0.242
m
0
1 a Ref 1.
b Dashed line separates liquid and gas phases.
Z
o
r
References
o
61003
o Compounds," Thermodynamic Research Center Data Project, Texas A&M
-< University, College Station, Texas, (loose-leaf data sheets, extant
published values.
1/80
Table 1.2-17. (CONT.) COMPRESSIBILITY FACTOR, FUGACITY COEFFICIENT, AND RESIDUAL
v* 5° «ib 2rf*
H~ S - J- C s Cp Cp H H* S-JT*1 H - H* s-s*
ci»
r/K l A / (6 d> Cp - Cp
$
291.1$ 0.01)1 0.0566 -12.9 -10.0 0.0164 0.0454 -12.9 -9.61 0.0327 0.0231 -12.9 -9.12 0.0650 0.0119 -12.9 -8.44
300 o.om 0.0612 -12.8 -9.99 0.0163 0.0491 -12.8 -9.77 0.0326 0.0250 -12.6 -9.08 00647 00129 -12.8 -s.a
320 0.0126 0.1)4 -11.6 -9.S9 0.01S7 0.108 -11.6 -9.37 0.031) 03)548 -11.6 -8.68 0.0622 0.0263 -11.6 -8.00
340 0.0121 0.263 -10.6 -9.2$ 04)152 0.211 -10.6 - 7.03 0.0)02 0.107 -10.6 -8.34 0.0601 0.0552 -10.6 -7.66
360 0.0118 0.470 -9.71 -8.9$ 0.0147 0.377 -9.71 0.0294 0.191 -9.70 -6.05 00563 0.0985 -9.69 -7.37
380 0.011$ 0.778 -8.96 -8.69 0.0144 0.624 -8.94 -8.46 0.0287 0.317 -8.9) -7.78 00569 0.16) -8.92 -7.10
400 0.93)4 0.9372 -0.21S4 -0.1506 0.9154 0.9216 -0.27)8 -0.1921 0.0262 0.491 -8.24 -7.5) 00559 0.25) -8.2) -645
420 0.94)6 0.9463 -0.1810 -0.1258 0.9286 G43.H -0.229) -0.1599 0.0279 0.72) -7.61 -7.26 00553 0.372 -700 -641
440 0.9S17 0.9$ 37 -0.15)9 -0.106$ 0.9)90 0.9422 -0.194$ -0.1)49 0.8711 0.6850 -0.4137 -0.2915 00551 0022 -7.02 -647
460 0.9S83 0.9$98 -0 !?2) -0.0912 0.9474 0.9498 -0.1669 -0.1153 0.8901 0.9001 -0.3508 -0.2456 0.0555 0.705 -6.46 -6.11
480 0.9637 0.9648 -0 1148 -0.0789 0.9543 0.9S61 -0.14a -0.0996 0.9053 0.9127 -0.3013 -0.2099 0.7924 0.8267 -00701 -0.4799
$00 0.9682 0.9690 -0.1004 -0.0689 0.9601 0.9614 -0.1263 -0.0869 0.9177 0.9232 -0.2615 -0.1815 0.82)4 0.8479 -00669 -o.a)8
-55
$20 0.9720 0.9726 -0.088$ -0.0607 0.96a 0.9658 -0.1112 -0.0764 0.9280 0.9)21 -0.2289 -0.1586 0.8477 00656 -0.4903 -04460
540. r 0.97S2 0.9757 -0.0784 -0.0536 0.9689 0.9697 -0.098$ -0.0677 0.93a 0.9397 -0.2019 -0.1)97 0.8675 0.8606 -0.4272 -0.300)
$60 0.9780 0.9783 -0.070* -QJ0481 0.9724 0.97)0 -0.0879 -0.060$ 0.9438 0.9462 -0.1795 -0.1142 008)6 0.89)6 -0.376) -0.26)9
S8fl 0 98*3 0.9806 0.0626 O.0432 0.975) 0.9754 -0.0768 -0.0S43 0.9500 0.9519 -0.160$ -0.1112 0.8972 0.90a -0.33)9 -04339
600 0.9824 0.9826 -0.0566 -0.0391 0.9779 0.9783 -00710 -0.0490 0.9554 0.9S66 -0.1442 -0.1001 0.9087 0.9144 -0.2963 -04090
620 0.9842 0.9843 -0.0SI3 -0.035$ 0.9802 0.9804 -0.064) -0.0455 0.9600 0.9611 -0.130) -0.0906 0.9186 0.92)1 -0.2680 -04880
640 0.98$7 0.9859 -0.0466 -0.0324 0.9821 0.9824 -0.0SS4 -0.0406 0.96a 0.9649 -0.1161 -0.0824 0.9271 0.9)06 -0.2421 -0.1701
660 0.9871 0.9872 -0.042$ -0.0297 0.98)9 0.96a -0.053) -0.0)72 0.9676 0.9663 -0.1076 -0.0753 0.9345 0.9)72 -0.2197 -o.i sa
680 0.988) 0.9884 -0.0389 -0.0273 0.9854 0.985$ -0.0487 -0.0342 0.9707 0.9712 -0.096) -0.0691 0.9410 0.94)1 -0.2001 -0.1415
700 0.9894 0.989$ -0.0357 -0.0252 0.9664 0.9869 -0.0447 -0.0)15 0.973$ 0.97)9 -0.0901 -0.06)7 0.9468. 0.946) -0.18)0 -0.1)00
800 0.9934 0.99)4 -0.0242 -0.0176 0.9917 0.9918 -0.0)0) -0.0220 0.9835 0.9636 -0.0608 -0.0442 0.967) 0.9676 -0.1222 -04893
900 0.99$8 0.99S8 -0.0172 -0.01)0 0.99a 0.9948 -0021$ -0.0163 0.9896 0.9896 -0.04)0 -0.0326 0.9795 0.9794 -0.0862 -0.0654
1000 0.9974 0.9974 -0.0126 -0.0100 0.9967 0.9967 -0.01S6 -0.0125 0.9935 0.9935 -0.0316 -0.0250 0.9673 0.9671 -0.06)0 -0.0500
a Ref 1.
k Dashed line separates liquid and gas phases.
References
61003
published values.
1/80 61003
1.3. PURE COMPONENT PROPERTIES - ENGLISH UNITS

a. Introduction
The pure component properties of Furan and Tetrahydrofuran in English

units are shown in Tables 1.3-1 through 1.3-15. Some of the properties of
I'uran or Tetrahydrofuran, such as surface tension, dielectric constant, and
thermodynamic properties of saturated liquid, have not been received from
TRC and, hence, are not included in this report.
Figures 1.3-1 through 1.3-8 are the plots of physical properties of

furan and tetrahydrofuran as a function of temperature.
1-57
1/80 61003.
b. Physical Properties
1) Basic Properties
Table 1.3-1. BASIC PROPERTIES
Furan3 Tetrahydrofuran^
Compound
&
Chemical Structure
C !3
Chemical Formula cl^b° w
Chemical Abstracts Registry Number 110-00-9 109-99-9
Transition Point, t , °F -189.69
tr
Melting Point, t , °F -163.32
Triple Point, t , °F -122.04 -163.10
Normal Boiling Point, t^, °F 88.43 150.73
dt^/dP, °F/psia 3.37 3.78
Enthalpy of Transition, AH (t ), 880.1
Btu/lb-mol
Enthalpy of Fusion, AH (t ), 1635. 3672.
Btu/lb-mol
Enthalpy of Vaporization, AH^ (t^)» 11670. 12950.
Btu/lb-mol
Critical Temperature, tc, °F 422.8 512.6
Critical Pressure, P , psia 798.0 753.0

c 3
Jritical Density, p , lb /ft 21.0 20.1
c _m
Critical Volume, V , ft /lb-mol 3.24 3.59
Critical Compressibility Factor, Zc 0.273 0.259
Acentric Factor, 0.203 0.225

Cryoscopic Constant, A, °R ^ 0.0072 0.0210
1/3
Watson Characterization Factor, °R 10.54 11.57
A Ref 2,3.
b Ref 1,3.4.
References
1. American Petroleum Institute Research Project 45, Ohio State University,

Columbus, Ohio, Annual Report, June 30, 1953.
2. Guthrie, G. B., Scott, D. W., Hubbard, W. N., Katz, C., McCullough, J.P.,
Gross, M. E., Williamson, K. D. and Waddington, G., J. Am. Chem. Soc 74*
4662 (1952). --------------- —
3. Kudchadker, A. P., Alani, G. H. and Zwolinski, B. J., J. Chem. Rev. 68

659 (1968). --------------- ’
4. Lebedev. B. V., Rabinovich, I. B., Milov, V. I. and Lityagov, V. y.

ENGLISH UNITS T_58
1/80 61003
2) Properties at 77°F
Table 1.3-2. PROPERTIES AT 77°F
Compound Furan3 Tetrahydrofuran0
Chemical Structure
(h
IUI
Chemical Formula c4h40 C4H8°
Chemical Abstract Registry Number 100-00-9 109-99-9
Phase liquid liquid

Refractive Index, n^ I.419 1.405
Density, P, lb /ft^
58.14 55.09
m
Vapor Pressure, Ps, psia II.60 3.137
dP/dt, psia/°F 0.246 0.077
Enthalpy of Vaporization, PHV, Btu/lb-mol 11,887.0 13,822.0
Enthalpy of Combustion, aHc, Btu/lb-mol

(£ , net) -857,820.0 -999,562.0
(£ , gross) -895,662.0 -1,075,250.0
(g. net) -869,712.0 -1,013,384.0
(g, gross) -907,554.0 -1,089,072.0

Enthalpy of Formation, aH^, Btu/lb-mol
(£) -26,819.0 -93,005.0
(g) -14,931.0 -79,183.0
Gibbs Free Energy of Formation, aG^,

Btu/lb-mol
(£) 48.0 -36,114.0
(g) 350.0 -34,256.0
Equilibrium Constant of Formation, log^Kj
(£) -0.0195 14.72
(g) -0.143 13.96
Heat Capacity at Saturation, Cs, Btu/lb-mol °R
(£) 27.38 29.6
Ideal Gas Heat Capacity, C°, Btu/lb-mol °R
(g) 15.62 18.28
Entropy, Sg, Btu/lb-mol °R
(£) 42.28 48.70
Ideal Gas Entropy, 3°, Btu/lb-mol °R
(g) 63.81 71.01
Surface Tension, Y, lbj/ft 0.00160 0.00181
Viscosity, H, cP 0.361 0.455
Dielectric Constant,e 2.942 7.40

7.88X10"30 18.17X10"30
Dipole Moment, U, coulomb-ft
Ref 3, 4, 5, 9, 12.
Ref 1, 2, 6, 7, 8, 9, 10, 11.

ENGLISH UNITS
1-59
1/80 61003
References
1. Bohme, H. and Schiirhoff, W., Chem. Ber.84, 28 (1951).
87, 5548 (1965).
3. Cox, J. D. and Pilcher, G., "Thermochemistry of Organic and Organometallic

Compounds," New York, Academic Press, 1970.
4. Guthrie, G. B., Jr., Scott, D.W., Hubbard, W. N., Katz, C., McCullough,J. P.,
Gross, M. E., Williamson, D. K. and Waddington, G., J. Am. Chem. Soc. 74,
4662 (1952).
5. Harris, B. and LeFevre, R.J.W., J. Chem. Soc., 1622 (1953).
6. Koizumi, E. and Ouchi, S., Nippon Kagaku Zasshi 91, 501 (197 ).
7. Kuss, E., Z, Agnew. Phys. 7, 372 (1955).
8. Lebedev, B. V., Rabinovich, I. B., Milov, V. I. and Lityagov, V. Y.,

9. McClellan, A. L., "Tables of Experimental Dipole Moments," El Cerrito,

Calif., Rahara Enterprises, Vol. lit, 1974.
11. Pell, A. S. and Pilcher, G., Trans.Faraday Soc. 61, 71 (1965).

New York, Elsevier, Vol. 11^, 1965.
1-60
1/80 61003
3) Density (C^ Compounds)
Liquid Density Correlations
Furan
For -120° < t < 200°F,
p = 61.7396 - 0.04637 t
where: t = temperature, °F
3
p = density, Ibs/ft
Tetrahydrofuran
For -140° < t < 140°F,

p = 57.5884 - 3.2621 X 10_2 t + 0.2262 X 10_4 t2
- 0.2614 X 10-6 t3
3
where: p = density, Ibs/ft
t = temperature, °F
1-61
1/80 61003
Table 1.3-3. DENSITY - C4 COMPOUNDS
Temperature
°C TU ^
U&liolUj' } IDS/It
-140 - 63.3
-120 67.3 62.3
-100 66.4 61.3
-80 65.5 60.5
-60 64.5 59.7
-40 63.6 58.94
ho
i
62.7 58.25
O
0 61.74 57.58
10 61.27 57.26
20 60.80 56.94
30 60.34 56.62
40 59.87 56.30
50 59.40 55.98
60 58.94 55.65
70 58.47 55.32
80 58.00 54.98
90 57.53 54.64
100 57.07 54.28
120 56.13 53.54
140 55.2 52.7
160 54.3 -
180 53.3 -
200 52.4 —
a Ref 1, 3.
b Ref 1, 2, 3.
References
1. Guthrie, G. B., Jr., Scott, D. W., Hubbard, W. N., Katz, C., McCullough,
J. P., Gross, M. E., Williamson, K. D. and Waddington, G., J. Am. Chem.
Soc. 74, 4662 (1952).
2. Harris, B. and LeFevre, R.J.W., J. Chem. Soc., 1622 (1953).
3. Timmermans, J., "Physico-Chemical Constants of Pure Organic Compounds."
New York, Elsevier, Vol. 2^,1965.
ENGLISH UNITS
1-62
1/80 61003
DENSITY, lb /ft
DENSITY, lb /ft
Figure 1.3-1. DENSITIES OF FURAN AND TETRAHYDROFURAN
1-63
1/80 61003
4) Molar Volume (C^ Compounds)
Table 1.3-4. MOLAR VOLUME - C, COMPOUNDS

4
3. b
°C 3
------------ ---- Molar Volume, ft /lb-mol----
-140 - 1.139
-120 1.011 1.158
-100 1.025 1.176
-80 1.040 1.192
-60 1.055 1.208
-40 1.070 1.223
-20 1.086 1.238
0 1.103 1.252
10 1.111 1.259
20 1.120 1.266
30 1.128 1.274
40 1.137 1.281
50 1.146 1.288
60 1.155 1.296
70 1.164 1.303
80 1.174 1.311
90 1.183 1.320
100 1.193 1.328
120 1.213 1.347
140 1.233 1.367
160 1.255 -
180 1.280 -
200 1.300 -
3 Ref 1, 3.
b Ref 1, 2, 3.
References
1. Guthrie, G. B., Jr., Scott, D. W., Hubbard, W. N., Katz, C.., McCullough,
Soe. 74. 4662 (1952).
2. Harris, B. and LeFevre, R.J.W., J, Chen. Soc., 1622 (1953).
3. Timmermans, J., "Physico-Chemical Co nstants of Pure Organic Compounds,"
New York, Elsevier, Vol. 1965.
ENGLISH UNITS
1-64
1/80 61003
TEMPERATURE, °F
1.40nr
MOLAR VOLUME, ft /lb-mol
MOLAR VOLUME, ft /lb-mol

1.22
1.20
FURAN
TETRAHYDROFURAN
1.10
1.08
1.00
TEMPERATURE, °F
Figure 1.3-2. MOLAR VOLUMES OF FURAN AND TETRAHYDROFURAN
1-65
1/80 61003
5) Vapor Pressure (C^ Compounds)
Vapor Pressure Correlations
Furan
For -100° < t < 176°F,
„ -d _ c orc7c 1903.824
log10 Ps 5*25575 t + 377.219
For 176°j< t < 422.8°F,

log.. _ P = 12.8936 - (-^~^) - 17.1299 T + 12.8634 T 2
10 r T r r
- 3.59899 T + 0.010664 log.. (T + 14.4 - T T )

r 10 c c r'
where: P = vapor pressure, psia
P =
r Pc
P - critical pressure = 798 psia
temperature, °F
T
r Tc
T = critical temperature = 882.8 °R
Tetrahydrofuran
For -4° _< t £ 248°F,
2160.468
log10 Ps " 5*27776
t + 374.868
For 248° < t £ 512.6°F,

log10 Pr = 10*54005 ~ ^‘6j102 " 12.10658 Tr + 8.20212 Tr2
'l'r
- 2.00179 T 3 - 0.00362181 log1A (T + 14.4 - T T )

r o10 c c r
y
i
1-66
1/80 61003
where: P = vapor pressure, psia

s
Pc = critical pressure = 753 psia
T
T = —-
r Tc
Tc = critical temperature = 972.6 °R
1-67
1/80 61003
Table 1.3-5. VAPOR PRESSURE - C. COMPOUNDS

4
£ b
°F
-Vapor Pressure, psia-
2.4 X 10"2 —
-100
7.1 X 10-2
-80 -
-60 0.180 -
-40 0.407 -
-20 0.844 -
0 1.617 0.327
10 2.18 0.462
20 2.90 0.640
30 3.81 0.874
40 4.93 1.175
50 6.30 1.559
60 7.97 2.040
70 9.97 2.638
80 12.35 3.374
90 15.17 4.268
100 18.46 5.347
120 26.7 8.166
140 37.6 12.07
160 51.5 17.32
180 68.9 24.22
200 90.5 33.08
220 117.0 44.25
240 148.9 58.1
260 186.8 74.5
280 231.5 94.7
300 283.6 118.7
320 344. 147.0
340 413. 180.0
360 491. 218.4
380 579 . 262.6
ENGLISH UNITS (Continued)
1-68
INSTITUTE OF GAS TECH N O L 0 G Y
1/80 61003
Table 1.3-5. (Conti.) VAPOR PRESSURE - COMPOUNDS
a
°F
^Vapor Pressure, psia-
400 677. 313.

420 782. 371.
422.8C 798. -
440 - 436.
460 - 510.
480 - 592.
500 - 686.
512.6d _ 753.
a Ref 1, 2, 4.
b Ref 1, 2, 3, 4.
c
Critical temperature of furan.
^ Critical temperature of tetrahydrofuran.
References
1. Guthrie, G. B., Jr., Scott, D. W., Hubbard, W. N., Katz, C.,
J. Am. Chem. Soc. 74, 4662 (1952).
2. Kobe, K. A., Ravicz, A. E. and Vohra, S. P., J. Chem. Eng. Data 1, 56
(1956).
3. Scott, D. W., J. Chem. Thermodyn. 2, 833 (1970).
4. Zwolinski, B. J. et al., "Selected Values of Properties of Chemical
Compounds," Thermodynamics Research Center Data Project, College Station,
Texas, Thermodynamic Research Center, Texas A&M Univ. (loose-leaf data
sheets, extant 1976). Calculated, correlated, and estimated values as
well as published values.
ENGLISH UNITS
1-69
TEMPERATURE, *P
00
O
^
VAPOR PRESSURE, psia
psU
VAPOR PRESSURE,
° s
>
(/»
m
n
x
x 0.0001
100
o TEMPERATURE, *F
o Figure 1.3-3. VAPOR PRESSURE OF FURAN AND TETRAHYDROFURAN

o
o
-< o
to

O TEMPERATURE. *F
O
Figure 1.3-4 VAPOR PRESSURE OF FURAN AND TETRAHYDROFURAN O'
O t-*
o
-< o
u>
1/80 61003
6) Enthalpy of Vaporization (C^ Compounds)
Enthalpy of Vaporization Correlations
Furan
For -112° < t < 176°F,
AHV = 8705.331 (—k-4T08> (1 + ^T>
For 176° < t < 422.8°F,

AH - 4.0083 X 10-3 (1 - T )1/3 + 34.4281 X 103 (1 - T )2/3
v r r
- 26.6357 X 10"3 (1 - T ) + 3.2114 X 10~3 (1 - T )4/3
r r
whore: Ah^ = enthalpy of vaporization, Btu/lb-mol
T = absolute temperature, °R
T
T = ~-
r Tc
Tc = critical temperature ■ 828.8 °R
P = vapor pressure at temperature T, psia

s
3
B = second virial coefficient, ft /lb-mol
v
R - 10.731687 ft3 psia/lb-mol °R
Tetrahydrofuran
For -4° < t < 512.6°F,

AH = -6.4936 X 103 (1 - T )1/3 + 169.753 X 103 (1 - T )2/3
v r r
-672.197 X 103 (1 - T ) + 1517.6 X 103 (1 - T )4/3
r r'
-1687.167 X 103 (1 - Tr)5/3 + 711.694 X 103 (1 - Tr)2
1-72
1/80 61003
where: AH = enthalpy of vaporization, Btu/lb-mol
X
T
= —
r T
c
Tc = critical temperature = 972.6 °R
1-73
1/80 61003
Table 1.3-6. ENTHALPY OF VAPORIZATION - C, COMPOUNDS

4
sl "b
°F
—Enthalpy of Vaporization, Btu/lb-mol—
14.65 X 103
-10G
14.20 X 103
-80
13.80 X 103
-60
13.45 X 103
-40
13.14 X 103
-20
12.84 X 103 14.82 X 103
0
12.71 X 103 14.68 X 103
10
12.57 X 103 14.53 X IO3
20
12.44 X 103 14.40 X 103
30
12.31 X 103 14.26 X IO3
40
12.18 X 103 14.14 X IO3
50
12.05 X 103 14.01 X 103
60
11.92 X 103 13.89 X IO3
70
11.79 X 103 13.77 X 103
80
11.66 X 103 13.65 X IO3
90
11.53 X 103 13.53 X IO3
100
11.27 X 103 13.30 X IO3
120
11.00 X io3 13.07 X 103
140
10.7 X 103 12.84 X IO3
160
10.4 X 103 12.60 X 103
180
10.1 X io3 12.4 X IO3
200
9.7 X 103 12.1 X IO3
220
9.3 X 103 11.8 X 103
240
8.8 X 103 11.5 X IO3
260
8.4 X 103 11.1 x io3
280
ENGLISH UNITS (Continued)
1-74
I N S T I T U T E 0 F GAS TECH N 0 L 0 G Y
1/80 61003
Table 1.3-6. (Conti.) ENTHALPY OF VAPORIZATION - C. COMPOUNDS

4
cl cL
°F
------------ —Enthalpy of Vaporization, Btu/lb-mol—
300 7.8 X Hr 10.8 X Hr

io3 10 3
320 7.2 X 10.3 X
io3 103
340 6.6 X 9.9 X
io3 io3
360 6.0 X 9.4 X
io3 io3
380 5.0 X 8.8 X
io3 103
400 4.0 X 8.1 X
io3 io3
420 1.0 X 7.4 X
422.8C 0 0
io3
440 0 6.5 X
io3
460 0 5.5 X
io3
480 0 4.3 X
io3
500 0 3.0 X
512.6d
0 0
3 Ref 1, 2.
1 Ref 1, 2.
C Critical temperature of furan.

^ Critical temperature of tetrahydrofuran.
References

J. Am. Chem. Soc. 74, 4662 (1952).

Station, Texas, Thermodynamics Research Center, Texas A&M University
(loose-leaf data sheets extant 1976). Calculated, correlated and
ENGLISH UNITS
1-75
1/80 61003
TEMPERATURE, °F
-100 0 100 200 300 400 500

15000 15000
14000 FURAN 14000
13000 13000
OF VAPORIZATION, Btu/lb-nol
2NTHALPY OF VAPORIZATION, Btu/lb-mol

12000 12000
11000 11000
10000 10000
TETRAHYDROFURAN 9000
9000
8000
8000
7000
7000
6000
5000
5000
4000
3000
3000
• CRITICAL TEMPERATURE 2000
1000 1000
TEMPERATURE
Figure 1.3-5. ENTHALPY OF VAPORIZATION OF FURAN AND TETRAHYDROFURAN
1-76
1/80 61003
7) Viscosity (C^ Compounds)

Viscosity Correlations
Furan
For 30° < t < 100°F,

699.48
log1()ri =- 1.746 +
t + 459.67
where: Tl = viscosity, cP
Tetrahydrofuran
For -140° < t < 200°F,

718.704
log10ri = - 1.681 +
t + 459.67
where: = viscosity, cP
1-77
1/80 61003
TEMPERATURE, °F
-150 -100 -50 0 50 100 150 200

VISCOSITY, CP
VISCOSITY, CP
TETRAHYDROFURAN
FURAN
TEMPERATURE
Figure 1.3-6. VISCOSITY OF FURAN AND TETRAHYDROFURAN
1-78
1/80 61003
Table 1.3-7. VISCOSITY OF LIQUIDS - C. COMPOUNDS

4
Temperature,
TT • J *_ T%
°F ^ ci*
-140 3.69
-120 2.72
-100 2.08
—80 1.63
-60 1.31
-40 1.08
-20 0.899
0 0.763
10 0.707
20 0.657
30 0.481 0.612
40 0.451 0.572
50 0.423 0.536
60 0.398 0.504
70 0.375 0.474
80 0.355 0.447
90 0.336 0.423
100 0.319 0.401
120 0.362
140 0.329
160 0.301
180 0.277
200 0.256
a Ref 4.
b Ref 1, 2, 3.
References
87, 5548 (1965).
2. Kuss, E., Z. Agnew Phys. 7, 372 (1955).

New York, Elsevier, Vol. 2, (1965)
ENGLISH UNITS
1-79
1/80 61003
8) Surface Tension (C^ Compounds)

Surface Tension Correlations
Furan
For -100° < t < 160°F

= 0.00201 - 0.0528 X 10~4 t
where Y = surface tension, lb^/ft

1-80
1/80 61003
Table 1.3-8. SURFACE TENSION - C4 COMPOUNDS
£
Temperature, Furan ,
____ ^F_______ Surface Tension, Ib^/ft
-160 0.0025
-140 0.0024
-120 0.0023
-100 0.0022
-80 0.0021
—60 0.00201
-40 0.00196
-20 0.00190
0 0.00185
10 0.00180
20 0.00175
30 0.00169
40 0.00164
50 0.00159
60 0.00153
70 0.00148
80 0.0014
90 0.0013
100 0.0011
a Ref 1.
Reference
New York, Elsevier, Vol. 2, 1965.
ENGLISH UNITS
1-81
1/80 61003
TEMPERATURE, °F
-160 -140 -120 -100 -80 -60 -40 -20 0 20 40 60 80 100 120
0.0025 0.0025
0.0024 0.0024
0.0023 0.0023
0.0022 0.0022
0.0021 0.0021
0.0020 0.0020
SURFACE TENSION, lb /ft
SURFACE TENSION, lb,/ft

0.0019 0.0019
0.0018 0.0018
0.0017 0.0017
0.0016 0.0016
0.0015 0.0015
0.0014 0.0014
0.0013 0.001
0.0012 0.0012
0.0011 0.0011
0.0010 sSo.ooio
TEMPERATURE, "F
Figure 1.3-7. SURFACE TENSION OF FURAN
1-82
INSTITUTE OF G A TECHNOLOGY
1/80 61003
9) Dielectric Constant (C^ Compounds)

Dielectric Constant Correlations
Tetrahydrofuran
For -140° < t < 140°F
€ 4777.2
-1.498 +
t + 459.67
where: e = dielectric constant, dimensionless
1-83
1/80 61003
Table 1.3-9. DIELECTRIC CONSTANT - C. COMPOUNDS

4
Temperature, Tetrahydrofuran3
°F
-140 13.4
-120 12.6
-100 11.8
-80 11.08
-60 10.45
-40 9.89
-20 9.37
0 8.89
10 8.67
20 8.46
30 8.26
40 8.06
50 7.88
60 7.69
70 7.52
80 7.35
90 7.19
100 7.04
120 6.7
140 6.5
Ref 1, 2.
References
1. Carvajal, C., Tolle, K. J., Smid, J. and Szwarc, M., J. Am. Chem. Soc. 87,
5548 (1965).
ENGLISH UNITS
1-84
1/80 61003
TEMPERATURE, °F
-140 -120 -100 -80 -60 -40 -20 0 20 40 60 80 100 120 140
DIELECTRIC CONSTANT
DIELECTRIC CONSTANT
TETRAHYDROFURAN
140 -120
TEMPERATURE, °F
Figure 1.3-8. DIELECTRIC CONSTANT OF TETRAHYDROFURAN
1-85

c. Thermodynamic Properties of Furan
1) Saturated Liquid
Correlation
C = A + BT + CT2 + DT3 + ET4
s
where,
Cg = heat capacity at saturation, Btu/lb-mol °R
A, B, C, D are constants, values of which are tabulated below.
Temperature
Range, °R A B C D E
0-30.60 0 0 15.172 1°1 -25.53 x 10"7

0 3 X
30.60-106.38 -2.205 0.14589 -0.08136 X 10-3 -0.2606 X 10l5 0
Crystal IX
106.38-162 7.185 -0.02110 0.5688 X 10 3 -0.17622 X 10 5 0
162-269.98 3.551 0.08805 -0.3632 X 10 3 0.06870 X 10- 0
269.98-297 -2159.61 22.78474 -79.5682 X lo: 9.27178 X io:5 0
Crystal I i
297-337.63 -3027.754 29.76295 -97.03373 X 10 3 10.5552 X io 0
liquid 337.63-576.00 33.508 -0.07221 10 3 10 5
0.15465 X -0.0077117 X 0
Other properties were calculated from the equation for C using standard
s
thermodynamics relationships.
1-86
1/80 61003
Table 1.3-10. THERMODYNAMIC PROPERTIES OF CONDENSED PHASES3 - FURAN

Temperature, Heat Capacity, Entropy, Enthalpy, Function, Function,
OO
1
T C* CP Ss (Gs-77§)/r
E Btu/°R Ib-mol Btu/lb-mol Btu/°R lb mol

CRYSTAL, II
-459.67 0.000 0.000 0.000 0.0 0.000 0.000
-440 0.772 0.772 0.289 4.2 0.212 -0.077
-420 3.292 3.292 1.585 44.1 1.112 -0.474
-400 5.657 5.657 3.392 134.2 2.249 -1.142
-380 7.584 7.584 5.304 267.5 3.357 -1.947
-360 8.948 8.948 7.162 433.8 4.353 -2.809
-340 9.787 9.787 8.875 621.5 5.194 -3.682
-320 10.53 10.53 10.445 824.9 5.906 -4.539
-300 11.15 11.15 11.897 1042.0 6.53 -5.371
-280 11.63 11.63 13.24 1269.8 7.07 -6.173
-260 12.12 12.12 14.49 1507- 7.55 -6.945
-240 12.65 12.65 15.67 1755. 7.99 -7.686
-220 13.25 13.25 16.80 2014 . 8.40 -8.400
-200 13.95 13.95 17.89 2285. 8.80 -9.09
-189.69b 14.37 H.37 18.44 2431 . 9.01 -9.44
CRYSTAL. I
-189.69b 16.72 16.72 21.70 3311. 12.27 -9.44
-180 17.31 17.31 22.30 3477 . 12.43 -9.87
-160 17.98 17.98 23.52 3829. 12.78 -10.74
-140 18.83 18.83 24.70 4195. 13.12 -11.58
-122.04c 22.30 22.30 25.81 4558. 13.50 -12.31
LIQUID
-122.04^ 23.79 23.79 30.65 6192. 18.34 -12.31
-120 23.80 73.80 30.79 6241. 18.37 -12.42
-100 23.95 23.95 32.16 6719. 18.68 -13.48
-80 24.16 24.16 33.46 7200. 18.96 -14.49
-60 24.43 24.43 34.70 768-5. 19.23 -15.47
-40 24.74 24.74 35.90 8177. 19.48 -16.42
-20 25.10 25.10 37.06 8675. 19.73 -17.33
0 25.50 25.50 38.19 9181. 19.97 -18.22
20 25.94 25.94 39.28 9696. 20.21 -19.07
40 26.42 26.43 40.35 10219. 20.45 -19.90
60 26.92 26.94 41.40 10753. 20.69 -20.71
80 27.46 27.49 42.43 11296. 20.93 -21.50
100 28.02 28.07 43.44 11851. 21.17 -22.26
a Ref. 1, 2.
k Transition Point.
C Triple Point.
References
1. Eon, C., Pommier, C. and Guiochon, G., J. Chem. Eng. Data 16, 408 (1971).
2. Palm A. and Bissell, E. R., Spectrochlm Acta 16, 459 (1960).
ENGLISH UNITS
1-87
2) Ideal Gas Thermodynamic Troperties
1/80
z
Table 1.3-11. IDEAL GAS THERMODYNAMIC PROPERTIES3 - FURAN
</»
H
Gibbs Enthalpy Gibbs Energy Equilibrium
H Temperature Capacity Entropy Function Enthalpy Formation Formation Formation
C
•H _t_ T eg 5° AHf AGf log jo W

m
°F #R Btu/(lb-mole)(°R) Btu/lb-mole
o
0 459.67 -9284. -9284. infinite
Tl
32 491.67 14. 19 62. 50 -53. 07 4637. -14477. -862. 0. 383
60 519.67 15. 08 63. 31 -53. 60 5047. -14763. -109. 0. 046
1-88
77 536.67 15. 62 63. 81 -53. 91 5308. -14930. 385. -0. 157

100 559.67 16. 35 64.48 -54.33 1044.
G
5676. -15152. -0. 408

> 200 659. 67 19. 46 67. 42 -56.09 7468. -16051. 4040. -1. 339
m 400 859.67 24. 83 73. 27 -59. 41 11917. -17522. 10349. -2. 633
600 1059.67 28. 96 78. 91 -62.57 17315. -18611. 16919. -3. 492
800 1259.67 32. 14 84. 19 -65.58 23439. -19437. 23681. -4. Ill
1000 1459. 67 34. 65 89. 11 -68. 47 30127. -20061. 30593. -4. 584
H 1200 1659.67 36. 68 93. 69 -71.24 37609. -4. 956
37266. -20504.
m
1400 1859. 67 38. 35 97. 96 -73. 89 44774. -21495. 44658. -5. 252
O 1600 2059.67 39.74 101. 95 -76. 42 52587. -20939. 51685. -5. 488
z 1800 2259. 67 40. 92 105. 69 -78. 85 60657. -21030. 58701. -5. 681
z 2000 2459.67 41. 91 109. 20 -81. 18 68943. -21059. 65742. -5. 845
o 2200 2659.67 42.76 112.52 -83.41 77412. -21035. 72890. -5. 993
61003
o
a Ref 1, 2, 3, 4.
ENGLISH UNITS
1/80 61003
References
1. Davidson, R. and Warsop, P. A., J. Chem. Soc. Faraday Trans. II 68, 1875
(1972) .
2. Orza, J. M., Rico and Barrachina, M., J. Mol. Spectrosc. 24, 133 (1967).
3. Pouchan, C., Raymon, J., Sauvaitre, H. and Chaillet, M., J. Mol. Struct.
21, 253 (1974).
4. Lebedev, B. V., Rabinovich, I. B., Milov, V. I. and Lityagov, V. Y.,

1-89

1/80 61003
3) Second Virial Coefficient and Its Temperature Derivatives
Correlation
The correlation used to calculate the second virial coefficient is —
Bv(m3 mol 1) = 2v*{«1 — (1 - flj) [exp(u//c:r) - 1] - («2 - 1) [expt-u//cr) - 1]
— ( fl3 - fl2)[exp(-0.21 u/kT) - 1] }
where
3
B second virial coefficient, m /mol
v
u/k -1560.78
v = 1.1636
R 0.7, R2 = 1.147, R3 = 6.07
T absolute temperature, K
1-90
N $ T I T U T E 0 F GAS TECHNOLOGY
1/80 61003
Table 1.3-12. SECOND VIRIAL COEFFICIENT AND ITS

TEMPERATURE DERIVATIVES3 - FURAN
Temperature, T Second Virial First Temperature Second Temperature

Coefficient . Derivative^3 Derivative^
T dBv/dT d'By/dT1
•r ftJ/Ib-mo!e ft* /(lb-mole)(°R) ft* /(lb-mole)(° R*)
360 -40. 5 0. 386 -0. 0062

380 -33. 8 0. 286 -0. 0041
400 -28. 8 0. 218 -0. 0028
420 -24. 96 0. 171 -0. 0020
440 -21.90 0. 136 -0.0015
460 -19.44 0. Ill -0.00112
480 -17.42 0. 092 -0.00083
500 -15. 73 0. 0772 -0. 00067
520 -14. 31 0.0656 -0. 00052
540 -13.09 0. 0564 -0. 00044
sea -12. 04 0.0489 -0. 00034
580 -11.13 0. 0428 -0. 00028
600 -10. 32 0. 0378 -0.00023
620 -9. 61 0.0336 -0.00019
640 -8. 97 0. 0300 -0. 00016
660 -8. 41 0. 0270 -0. 00014
680 -7. 89 0.0244 -0.00012
700 -7. 43 0.0221 -0.00011
720 -7. 01 0.0202 -0.00009
740 -6. 62 0.0185 -0. 00008
760 -6. 26 0. 0170 -0. 00007
780 -5. 94 0. 0156 -0.00006
800 -5. 64 0. 0146 -0. 00005
820 -5. 36 0. 0134 -0. 00005
840 -5. 10 0. 0125 -0. 00004
860 -4. 86 0. 0116 -0. 00004
880 -4.64 0. 0109 -0. 00004
lef 1, 2, 3. 2
db d B
/alues of dT and ,m2 are calculated using the Bv equation.
ENGLISH UNITS
1-91

1/80 61003
References
1. Engerholm, G. C., Luntz, A. C., Gwinn, W. D. and Harris, D. 0., J. Chem.

Phys. 50, 2446 (1969).
3. Palm, A. and Bissell, E. R., Spectrochim Acta. 16, 459 (1960).
1-92

1/80 61003
d. Thermodynamic Properties of Tetrahydrofuran

1. Saturated Liquid
Correlation
C = A + BT + CT2 + DT3 + ET*

s
where,
C = heat capacity at saturation, Btu/lb-mol °R
s
A, B, C, D are constants, values of which are tabulated below.

Temperature
Ranee. "R A B C D E
0-28.80 3.944x 10'5

0 0 0 3 -0.1809 x 10"^
crystal 28.80-99 0.4574 -0.098958 5.37701 x 10 , -5.26337 x 10“^ 1.74049 x 10 ,
99-216 -19.331 0.609244 -4.84134 x 10 , 1.859750 x 10 ^ -0.26759 x 10-,
216-296.57 -35.753 0.85241 -5.6798 x 10“, 1.72443 x 10"^ -0.19108 x 10
liquid 296.57-360 76.925 -0.42995 1.1825 x 10 ^ -0.10665 x 10-^ 0
360-580.00 44.237 -0.12781 0.26067 x 10 -0.013630 x IO-3 0
Other properties were calculated from the equation for Cg using standard
thermodynamics relationships.
1-93

1/80 61003
Table 1.3-13. THERMODYNAMIC PROPERTIES OF CONDENSED

PHASES3 - TETRAHYDROFURAN
Heat Enthalpy Gibbs Energy

Temperature, Capacity, Entropy, Enthalpy, Function, Function,
:t S_ Hs-H% {Hs-H$IT (Gs-H%)IT
Btu/°R Ib-mol Btu/lb mol Btu/°R Ib-mol

CRYSTAL
-458.67 0.000 0.000 0.00 0.000 0.000
-440 0.297 0.099 1.47 0.075 -0.025
-420 2.139 0.784 23.13 0.583 -0.201
-400 4.722 2.145 91.6 1.534 -0.611
-380 7.099 3.847 210.5 2.642 -1.205
-360 9.072 5.655 372.7 3.739 -1.916
-340 10.63 7.460 570.6 4.768 -2.693
-320 11.81 9.195 795.3 5.694 -3.501
-300 12.83 10.84 1041.9 6.525 -4.318
-280 13.83 12.42 1308.5 7.28 -5.132
-260 14.81 13.93 1594.9 7.99 -5.938
-240 15.72 15.38 1900.5 8.65 -6.732
-220 16.64 16.79 2223.9 9.26 -7.513
-200 17.67 18.17 2567. 9.89 -8.28
-180 18.71 19.52 2931. 10.48 -9.04
-163.10b IS.5 20.64 3254. 10.97 -9.67
LIQUID
-163.10b 25.60 33.02 692 5.2 23.35 -9.67
-160 25.57 33.28 7004.6 23.37 -9.91
-140 25.48 34.93 7514.9 23.51 -11.42
-120 25.52 36.48 8024.8 23.63 -12.85
-100 25.64 37.94 8536.4 23.73 -14.21
-80 25.83 39. 33 9051.0 23.84 -15.50
-60 26.09 40.67 9570.0 23.94 -16.72
-40 26.43 41.95 10095. 24.05 -17.89
-20 26.85 43.19 10628. 24.17 -19.02
0 27.33 44.39 11169. 24.30 -20.09
20 27.86 45.57 11721. 24.44 -21.13
40 28.45 46.72 12284. 24.58 -22.13
60 29.08 47.85 12860. 24.75 -23.10
80 29.76 48.96 13448. 24.92 -24.04
100 30.5 50.05 14050. 25.10 -24.95
120 31.2 51.14 14667. 25.30 -25.83
Ref 1.
Triple Point.
1. Lebedev, B. V., Rabinovich, I. B., Milov, V. L., and Lityagov, V. Y.,

J, Chem. Thermodynamic,, 10 321 (1978)
ENGLISH UNITS
1-94

1/80
z Table 1.3-14. IDEAL GAS THERMODYNAMIC PROPERTIES3 - TETRAHYDROFURAN
t/>
H Gibbs Equilibrium
— Gibbs Enthalpy Energy Constant
-t Heat Energy of of of
c Temperature, Capacity, Entropy, Function, Enthalpy Formation Formation Formation
H
m r eg s° (C° - Wg)/r H°-H$ LGf logjo a:/
t
°F °R Btu/(lb-mole)(°R) Btu/lb*mole
O
TI 0 459.67 -67208. -67203. infinite
32 491.67 16. 60 69.48 -58. 34 5476. -78225. -37966. 16.887
H 60 519.67 17. 63 70. 43 -58. 97 5955. -78828. -35706. 15.026
I
VO 71. 01 -59.34 6260. -79183. -34259. 13. 960
77 536.67 18. 28
O
100 559.67 19. 17 71. 79 -59. 84 6691. -79659. -32335. 12.635
>
200 659.67 23.12 75.26 -61.91 8805. -81621. -23661. 7. 844
400 859.67 30. 63 82. 35 -65.84 14196. -84943. -5594. 1. 423

600 1059.67 36. 95 89. 42 -69.63 20975. -87446. 13081. -2. 700
800 1259.67 42. 12 96. 26 -73. 32 28899. -89278. 32178. -5.586
H 1000 1459.67 46. 39 102. 78 -76.91 37763. -90548. 51590. -7.729
m 1200 1659.67 49. 94 108. 97 -80. 40 47406. -91333. 71204. -9. 383
o 1400 1859.67 52. 90 114.82 -83. 79 57699. -92418. 90866. -10. 686
X 1600 2059. 67 55. 40 120. 35 -87.08 68536. -91755. 110470. -11.730
z 1800 2259.67 57. 50 125. 58 -90. 25 79832. -91580. 130011. -12.583
o 2000 2459.67 59. 28 130. 54 -93.33 91515. -91220. 149568. -13.298
r 2200 2659.67 60. 79 135.23 -96. 31 103526. -90707. 169297. -13.921
o
61003
o a
K Ref. 1, 2, 3, 4, 5, 6.
ENGLISH UNITS
1/80 61003
References
1. Davidson, R. and Warsop, P. A., J. Chem. Soc. Faraday Trans. _n 68, 1875
(1972).
2. Engerholm, G. C., Luntz, A. C., Gwinn, W. D. and Harris, D. 0., J. Chem.

Phys. 50, 2446 (1969).
3. Eyster, J. M. and Prohofsky, E. W., Spectrochim Acta Part A 30, 2041 (1974).
4. Palm, A. and Bissell, E. R., Spectrochim Acta 16, 459 (1960)
5. Schornack, L. G. and Eckert, C. A., J. Phys. Chem. 74, 3014 (1970).
6. Scott, D. W., J. Chem. Thermodyn. 2^, 833 (1970).
1-96
N S T T U I E O F GAS TECHNOLOGY
1/80 61003
3) Second Virial Coefficient and Its Temperature Derivatives

Correlation — Tetrahydrofuran
The correlation used to calculate the second virial coefficient is —
flv(m3 mol = 2y*|fl1 - (1 — fl1) [exp(uy/cT) - 1] - («2 - 1) [exp(-u//er) - 1]
- ( fl3 - fl2) [exp(-0.21 u/kT) - 1] |
where
3
B = second virial coefficient, m /mol
v
u/k = -1809.00
v = 1.3520
R = 0.7, R2 = 1.130, R3 = 4.97
The second virial coefficients and its first and second temperature
1-97
INST I T U T E O F GAS TECHNOLOGY
1/80 61003
Table 1.3-15. SECOND VIRIAL COEFFICIENT AND ITS TEMPERATURE DERIVATIVES3 -

TETRAHYDROFURAN
Second Virial First Temperature Second Temperature

Temperature, Coefficient, Derivative^ Derivatuve^
T Bv dBvfdT d'Bv/dl*
•R ft* /lb-mole ft* /(lb-mole)(° R) ft* /(lb-mole)(°RJ
400 -45. 8 0.430 -0. 0065

420 -38. 3 0. 323 -0. 0044
440 -32. 6 0. 249 -0. 0031
460 -28.2 0.196 -0. 00224
480 -24.72 0. 157 -0.00167
500 -21.88 0. 128 -0.00125
520 -19. 54 0. 106 -0. 00097
540 -17.59 0. 089 -0. 00075
560 -15. 94 0.0759 -0. 00061
580 -14.54 0.0651 -0. 00049
600 -13.33 0.0565 -0.00040
620 -12.27 0.0493 -0.00032
640 -11.34 0.0434 -0. 00027
660 -10. 52 0.0385 -0. 00023
680 -9. 80 0.0344 -0. 00019
700 -9. 15 0.0308 -0. 00016
720 -8. 56 0. 0278 -0. 00014
740 -8. 03 0.0252 -0. 00012
760 -7. 55 0.0229 -0. 00011
780 -7. 11 0. 0209 -0. 00009
800 -6. 71 0. 0192 -0.00008
820 -6.34 0.0177 -0. 00007
840 -6. 00 0.0163 -0. 00006
860 -5.69 0. 0151 -0. 00006
880 -5. 40 0.0140 -0. 00005
900 -5. 13 0.0130 -0. 00005
920 -4.88 0.0122 -0. 00004
940 -4.64 0.0114 -0. 00004
960 -4.42 0.0107 -0. 00004
a Ref 1, 2, 3.
b dbv
Values of -jj- and —5^ are calculated using the B equation.
dT^
ENQLISH UNITS
1-98
I N S T I T U T E OF GAS TECHNOLOGY
1/80 61003
References
2. Guthrie, G. B., Jr., Scott, D. W., Hubbard, W. N., Katz, C., McCullough,
Soc. 74, 4662 (1952).
3. Zwolinski, B. J. et al., "Selected Values of Properties of Chemical

Compounds," Thermodynamic Research Center Data Project, Texas A&M Univ.,
College Station, Texas (loose-leaf data sheets, extant 1976). Calculated
correlated, and estimated values as well as published values.
1-99
1/80 61003
1.4. Heating Value of Coal
Some data on coal and chars obtained in the course of the HYGAS® pilot
plant program have been analyzed with respect to use of the Technical Data
Book formula for calculating heating value from the ultimate analysis.
In the HYGAS process, non-agglomerating coals are dried but are not
otherwise pretreated. Bituminous coals are pretreated at temperatures up
to about 800°F to destroy their agglomerating properties. The resulting
product is referred to as "pretreated coal" rather than "char". Samples
referred to as "chars" here are from later intermediate stages or are
spent (residue) char. Ash in the spent char from the runs on bituminous
coal averaged 36%, but ranged up to about 85%. To augment the data from
runs on subbituminous coals we have added some previously compiled samples
taken from streams, such as the dust collected by a cyclone in the reactor
product gas stream, that contain feed coal in addition to char. Previously
compiled samples^ from runs on lignite were also analyzed.
Gross heating values were calculated according to the Technical Data

Book formula developed at IGT:
Q = 198.11 C + 620.31 H + 80.93 S + 44.95 A - 5153 (1.4-1)
vnere Q is the gross heating value in Btu/lb, C, H, S, and A are the

respective determined percents of carbon, hydrogen, sulfur, and ash; this
is the alternative form of the equation in which (100-C-H-S-A) has replaced
oxygen plus nitrogen. The results are shown in Table 1.4-1, together with
those obtained on the original data bank.
The most important criterion for use of a heating value formula for
heat balance calculations on a coal conversion process is the bias or average
difference between observed and calculated values, because it shows how
accurately the formula represents the properties of coal.
1. Institute of Gas Technology, "Preparation of a Coal Conversion Systems

Technical Data Book," Annual Report for the period May 1, 1977 through
April 30, 1978, U.S. Department of Energy No. FE-2286-32.
1-101
1/80 61003
Table 1.4-1. TEST ON HYGAS© ROUTINE SAMPLES OF THE DATA BOOK FORMULA FOR
CALCULATION OF HEATING VALUE
Standard Deviation
Before After
No. of ^ Bias Bias
Samples Bias Correction Correction
--------- Btu/lb---------------
Hygas Data Bank

Bituminous Coala
Raw Coal 294 18 73 71
Pretreated Coal 572 157 174 76
Chars
First Stage Hydrogasification 105 58 98 79
Second Stage Hydrogasification 106 2 106 106
Spent Char 570 28 97 92
All Char 781 28 98 94
Subbituminous Coal^
Coal 49 -47 69 51
Chars 80 15 59 57
Mixtures of Coal and Char 66 15 55 53
• •^ c
tLignite
Chars 80 34 78 70
Mixtures of Coal and Char 44 39 88 79
Original Data Bank
Anthracite 40 -14 93 92
Bituminous Coal 406 10 124 123
Subbituminous Coal 180 13 140 139
Lignite 149 -45 137 129
All Ranks 775 0 129 129
From Illinois No. 6 Seam. About 1/8 of the samples were from runs on
hvBb coal from Saline County and the remainder from runs on hvCb coal
from Christian County.
k From the Rosebud Seam, Rosebud County, Montana.
C From the Savage Mine, Richland County, Montana.

^ Average observed value - average calculated value.
1-102
1/80 61003
The standard deviation after application of the bias correction is a measure

of the precision of the experimental determinations comprising the data, as
will be discussed later in this report.
Among the 294 samples of raw (untreated) bituminous coals, the calculated
values are, on the average, 18 Btu/lb less than the observed values. However,
note that on the 406 samples of bituminous coal in the original data bank,
the calculated values were, on the average, 10 Btu/lb less than the observed.
There is only about a 20% chance that the difference is real; if so, it can
be attributed to a slightly lower average ash content obtained at IGT,
because sulfur trioxide in ash is determined and its amount cast
out of the reported ash in IGT's analytical procedure, whereas ash as cus
tomarily determined is likely to contain small amounts of sulfur trioxide.
The standard deviation shown for these coal samples is substantially

less than was found on the bituminous coals of the original data bank. The
difference may in part be a result of the limited range of source of the HYGAS
samples; all were from the Illinois 6 seam, and 95% of them were from a
single mine. We think that less variability of the mineral matter in the
Illinois coal, rather than of the coal per se, is a likely source of the
reduction of variance. Differing ratios of mineral matter to ash, differ
ing contributions of the mineral matter to the determined carbon and hydrogen
contents, and differing extents and heats of reaction of formation of com
plex silicates are possible contributions of mineral matter to the variance.
On pretreated bituminous coal, the calculated values are, on the average,

157 Btu/lb less than the observed. Thus for this material, the Data Book
formula is unsatisfactory for heat balance calculations on the HYGAS process;
for such use, a bias correction should be applied or a better formula obtained
by a regression analysis of the pretreated coal sample data. This difference
in bias between the parent and pretreated coal must be attributed to a dif
ference in structure (bonding), because the formula has already taken into
account the differences in elemental composition.
On the chars from bituminous coals the calculated values are, on the
average, only 28 Btu/lb less than the observed. The average differences for
chars from subbituminous coal and lignite are not significantly different.
If desired, a more accurate formula could be obtained for the chars from the
bituminous coal, but the Data Book formula should be adequate for most
purposes.
1-103
1/80 61003
In a previous report we questioned the source of the variance of the

difference between calculated and observed heating values.'*' The small
differences in bias observed among different ranks of coal in the results

from the original data bank as shown in Table 1.4-1 indicate that the
variation in composition of the mineral-matter-free coal probably does not
contribute much variance. The largest contribution is from the experimental
determinations, which can be estimated as follows:
Var (exp) = Var Q + 198.II1
2 Var C + 520.312 Var H (1.4-2)
+ 80.932 Var S + 44.952 Var A
where Var Q, Var C, etc, are variances of the respective determinations.

However, at that time suitable data on the repeatability of the determina
tions was not available. Recently such data have become available from the
HYGAS program at IGT.
Sources of variance of the experimental determinations need to be

considered for the purpose at hand. The heating value and the analytical
determinations (carbon, hydrogen, sulfur, and ash) are all run on a sample
of coal (or char) that has been ground finer than 60-mesh sieve size.
Thus, the variance from the sampling of the coarse sample submitted to the
laboratory is of no concern. If the moisture content does not change
during all of the sample withdrawals for the various determinations, no
variance is contributed by the moisture determination; however, if several
days elapse between the heating value and carbon-hydrogen determinations, a

contribution from this source is likely, either from the change in moisture
or from the variance of the redetermination. Variance can also be
contributed by day-to-day variations in equipment and operator; thus,
redetermination on the same day would not serve the purpose. Instead, the
procedure that was adopted consisted of resubmitting from time to time a
number of ground samples of coal (in the same 4-oz bottles as originally
sampled from) for redetermination of moisture, heating value, carbon,
hydrogen, sulfur, and ash. Each reported determination for carbon,
hydrogen, ash and heating value is the average of two determinations
run at the same time; for sulfur, only determination is made.
1. Institute of Gas Technology, "Preparation of a coal Conversion Systems
Technical Data Book," Project 61003 Annual Report for the period May 1
through July 31, 1979, pp 1-59 to 1-67. Dept, of Energy No. FE-2286-32.
1-104
1/80 61003
Completion of the duplicate analysis ranged from 9 to 46 days after

completion of the routine analysis. Slight average changes in values
from the original analysis to the duplicate, such as an average decrease
in heating value of 13 Btu/lb, occurred; the standard deviations were
calculated both with and without correction for this bias.
The reported data from this program were examined for their statistical
significance. Three sulfur determinations, one ash determination and one heating
value determination, all with differences between duplicates greater than (.3.8 /2)a,
were discarded. In addition, a heating value with a duplicate difference of
(2.8 /2)a and also having a difference between observed and calculated values
of 3.5a was discarded. The analysis of the remaining data is shown in

Table 1.4-2.
The bias observed in the calculated heating values (versus the observed)
for this set of data, 13 Btu/lb, is in good agreement with the value obtained
on the large set of HYGAS data. The standard deviation, 85 Btu/lb, is
significantly higher, as indicated by an F test at the 95% level; this can
be attributed to the higher ash content of samples of the present set, mostly
from runs on run-of-mine coal instead of washed coal.
The contribution to the variance between observed and calculated heating

value by the variance of the experimental determinations can now be cal
culated according to Equation 1.4-2. The standard deviations of the determinations
after bias correction, as shown in Table 1.4-2, yield the value 64 Btu/lb as the ex
pected standard deviation, which represents 77% of the variance found (.a = 73)
for the large set of routine HYGAS data on bituminous coal. The remainder of
the variance can be attributed to the effect of oytlying experimental deter

minations and the variability of mineral matter.
From this analysis, we conclude that all significant sources of variance

of the formula, when applied to coal, have been identified. This and the
absence of significant trend in bias of results from the original data bank
indicate that there is little chance of obtaining an improved formula based
on ultimate analysis only. Some improvement can be expected from a study
of the effect of the composition of the mineral matter. The formula also1
1 ASTM E178, "Standard Recommended Practice for Dealing with Outlying
Observations," 1978 Annual Book of Standards, Part 41.
1-105
INSTITUTE of gas technology

1/80 61003
Table .4-2. SUMMARY OF HYGAS REPEATABILITY DATA
Standard Deviation
No. of Average Before Bias After Bias
Duplicates Value Bias Correction Correction
------------ Btu/lb-------------
Heating Value
Calculation 98 - 12 85 85
Determination
---------------Btu/lb-----------------
Heating Value 56 11234 13 29 27
Vt %-
Carbon 41 64.14 0.037 0.25 0.24
Hydrogen 41 4.52 0.028 0.051 0.051
Sulfur 55 4.67 -0.011 0.084 0.086
Ash 40 18.06 0.037 0.14 0.14
a Average (original minus duplicate) for determinations; Average (observed
minus calculated) for the heating value calculation.
1-106

1/80 61003
gives good results on chars, except for those, such as HYGAS pretreated coal,
that are only lightly carbonized. To obtain highest accuracy on these, data
on products of the process under consideration should be obtained.
B. Work Forecast
A plan for correlation of vapor-liquid equilibrium in the NH^-CC^-Ô

and NH^-^S-Ô subsystems will be formulated. Our previous correlations
are not very suitable for extension to the quaternary system containing
1 2
both carbon dioxide and hydrogen sulfide. * We are contemplating use
3
of the Meissner system of correlation. After development of the correla
tions on the two subsystems we will test them on quaternary data. However,
the computer program embodying the correlations is expected to be rather
lengthy for routine applications. Therefore, we plan to generate from our
correlation a field of points covering liquid concentrations of interest,
then fit a simple empirical working correlation to the points.
A new format for presenting the thermodynamic properties of selected

hydrocarbons on SI and English units has been jointly agreed upon by IGT
and TRC. Hence, a list of recommended compounds will be reported according
to the new format.
future work on evaluation of correlations for the prediction of coal-
fluid thermodynamic and transport properties will be emphasized as:
• Improved enthalpy-difference prediction for coal derived fluid
• Predictions of vapor-liquid equilibrium of defined coal-solvent mixtures
• Vapor-liquid equilibrium prediction for full-range coal fluids.

Technical Data Book," Project 8979 Annual Report for the period May
1976 through April 30, 1977, U.S. Department of Energy No. FE-2286-16,
pp 1-40 to 1-104.

Technical Data Book," Project 61003 Annual Report for the period May 1,
1977 through April 30, 1978, U.S. Department of Energy No. FE-2286-32,
pp 1-1 to 1-37.
3. Meissner, H. P. "Prediction of Activity Coefficients of Strong

Electrolytes in Aqueous Systems," paper presented at symposium on
"Thermodynamics of Aqueous Systems with Industrial Application,"
Washington, D.C., October 22-25, 1979.
1-107
INSTITUTE OF GAS ItCHNOuOGY

1/80 61003
II. SOLIDS STORAGE, HANDLING, PREPARATION AND PRETREATMENT
Comments received on REI's (Resource Engineering, Inc.) report on Solids

Storage, Handling and Preparation issued as the last quarterly report, are
being incorporated into its final version.
B. Work Forecast
The REI report will be modified and revised, and later issued in a
supplement for the Coal Conversion Systems Technical Data Book.
II-l

1/80 61003
III. CONVERSION FUNDAMENTALS
III.l Carbon-Carbon Dioxide Reaction

The heterogeneous reaction of carbon with carbon dioxide gas has been
the subject of intensive studies for the past several decades. Much of the
interest in this reaction can be directly linked to the role it plays in
industrial utilization of coal and carbonaceous materials. Hence, the under
standing of the kinetics of this heterogeneous system at the gasification
and combustion temperatures, are of fundamental and practical importance.
In this report, the published data on the carbon-carbon dioxide reaction

were selected, evaluated, and correlated in a temperature range from 700° to
16Q0°C. (This does not imply that all the data in literature are included,
because there are numerous reports and investigations in this system). The
materials used in this study included graphite, char, coke, and activated carbon.
The values of the intrinsic reaction rate and their sources are shown in Table
III.1-1. The results in Table III.1-1 indicate a vast difference in the
reaction rate. Sometimes, the difference is three to four orders of magnitude.
The deviations may be traced back to different origins of carbon and mineral
contents of the materials used by the researchers. Consequently, the physical
stale and structure of the materials used are substantially different which could
result in the difference in their pore sizes and surface area. This, in turn,
could either facilitate or retard the mass transfer and reaction rates.
The purpose of this task is to seek a common denominator, which may

reduce the scattering of results of the carbon-carbon dioxide reaction rate.
Along this line, the reaction rates are manipulated by dividing the rates by
the percent of pure carbon content in the material, i.e., g-mole of carbon
gasified/gm (pure carbon) -min. Furthermore, the rate is expressed as g-mole
2
of carbon gasified/m -min. These results are shown in Table III.1-1 also
plotted in Figure III.1-1. Presently, a factor that is a function of the
surface area of the carbonaceous material is contemplated with the intention
for further reducing the deviations of the intrinsic reaction rate.
Additional literature involving data on this reaction has been evaluated

and will be included in a future report.
III-l

1/80 61003
l/T*I03(i)
o.* o.i
Figure III.1-1 REACTION RATE OF CARBON-CARBON DIOXIDE

AS A FUNCTION OF TEMPERATURE
III-2
INSTITUTE OF GAS T E C H N 0 L 0 G Y
1/80 61003
Table III.1-1. INTRINSIC REACTION RATE FOR CARBON-CARBON DIOXIDE
Rate in Rate jn
Original Rate in
g-mole/g-min g-mole/m -min
Temperature, Rate g-mole/g(raw
____ °K______ Reported feed)-min ---- Pure Carbon-min --- Reference
1.2 X 1016 10‘6 io-6 io-6
1273 1.19 X 1.19 X 1.19 X (1)
2.0 X 1017 io-5 io-5 io'5
1423 1.99 X 1.99 X 1.99 X Graphite
2.7 X 1019 io-3 10-3 IO-3
1623 2.69 X 2.69 X 2.69 X
(atom C/g-s)
2.53 X 10“4
1112 2.11 X io-5 2.12 X io"5 1.64 X
io-6
(2)
8.98 X lO"4 io-5 -5 —6
1159 7.50 X 7.54 X 10 5.84 X 10 Carbon
2.856 X 10"3 io-4 -4 -5 Black
1208 2.38 X 2.39 X 10 1.85 X 10
8.337 X 10"3 io-4 -4 -5
1269 6.69 X 7.03 X 10 5.45 X 10
1.815 X 10-2 io-3 -3 -4
1323 1.51 X 1.52 X 10 1.18 X 10
(g/g-min)
1 ft io-7 io-7 io-10
973 0.2065 X 10 3.43 X 4.34 X 4.34 X (3)
1 ft io-5 -5 -8
1073 6.8026 X 10 1.13 X 1.43 X 10 1.43 X 10 Activated
1.50 X 10_16 io-4 , „-4 , „-7 Carbon
1173 2.49 X 3.15 X 10 3.15 X 10
1.80 X 10“16 io-3 -3 -6
1273 2.99 X 3.78 X 10 3.78 X 10
3.082 X 10-15 io-3 -3 -6
1298 5.12 X 6.48 X 10 6.48 X 10
(site/g-s)
1 ft io-5 10-5 IO-5
1173 9.25 X 10 1.54 X 1.54 X 1.54 X (3)
3.275 X 10-17 io-5 io-5 io-5 Activated
1223 5.44 X 5.44 X 5.44 X
Graphite
1.13 X 10_1° io-4 -4 io-4
1273 1.88 X 1.88 X 10 1.88 X
3.53 X 10_16 io-4 -4 -4
1323 5.87 X 5.87 X 10 5.87 X 10
8.45 X 10~16 io-3 -3 -3
1373 1.40 X 1.40 X 10 1.40 X 10
2.47 X 10"15 io-3 -3 -3
1423 3.73 X 3.73 X 10 3.73 X 10
(site/g-s)
1.118 X 10-17 io-5
1273 1.86 X 1.86 X io-5 1.86 X io-5 (3)
4.891 X 10“17 io-5 io-5 io-5 Ceylon
1323 8.13 X 8.13 X 8.13 X
1.44 X 10"16 -4 Graphite
io-4 -L
1373 2.39 X 2.39 X 10 2.39 X 10 4
3.48 X 10-16 io-4 io-4 io“4
1423 5.78 X 5.78 X 5.78 X
7.55 X 10-16 IO-3 io-3 io-3
1473 1.25 X 1.25 X 1.25 X
1.63 X 10_15 io-3
1523 2.71 X 2.71 X io-3 2.71 X
io~3
3.342 X 10~15 IO-3 io-3 io-3
1573 5.55 X 5.55 X 5.55 X
6.215 X 10“15 io-2 io-2 io-2
1623 1.03 X 1.03 X 1.03 X
1.146 X 10“14 io-2
1673 1.90 X 1.90 X io-2 1.90 X
io-2
(site/g-s)
III-3
INSTITUTE OF GAS T E C H N 0 1L 0 G Y
1/80 61003
Table III.1-1, Cent. INTRINSIC REACTION RATE FOR CARBON-CARBON DIOXIDE
Rate in Rate in
Original Rate in g-mole/m^
g-mole/g
Temperature, Rate >-mole/g(raw
K Reported feed)-min Pure Carbon-min — Reference
8.737 X 10-6 10-6 io'5 10 7
1199.7 8.74 X 1.02 X 2.54 X (4)
4.727 X IO-5 10~5 10-5 IO'6 Pitch
1255.2 4.73 X 5.50 X 1.37 X
Coke
1.843 X 10-4 IO-4 10“4 io-6
1310.8 1.84 X 2.14 X 5.36 X
6.193 X IO-4 IO-4 IO-4 io-5
1366.3 6.19 X 7.20 X 1.80 X
1.247 X 10-3 10~3 10“3 io-5
1421.9 1.25 X 1.45 X 3.63 X
(g-mole/g-min)
2.815 X 10“7
1473 0.743 0.743 0.169 (5)
5.095 X IO"7 Nuclear
1573 1.345 1.345 0.306
-7 Graphite
1673 5.979 X 10 1.578 1.578 0.359
6.426 X IO"7
1773 1.696 1.696 0.386
6.308 X 10-7
1873 1.665 1.665 0.378
(g-mole/cm -s)
-4 -4 -4 -6
1173 5.40 X 10 5.40 X 10 H 6.67 X 10 1.67 X 10 (6)
2.12 X IO-3 io"4 IO-3 IO"6 Coconut
1273 2.12 X 2.61 X 6.54 X
Shell
5.19 X 10"3 IO-3 IO-3 io-5
1373 5.19 X 6.41 X 1.60 X Charcoal
(g-mo1e/g-min)
_7 -7 -7 -7
1173 8.07 X 10 8.07 X 10 8.07 X 10 8.07 X 10 (6)
3.24 X 10"5 10” 5 10~5 io"5 Electrode
1273 3.24 X 3.24 X 3.24 X
Carbon
5.98 X 10-4 10‘4 IO-4 io-4
1373 5.98 X 5.98 X 5.98 X
(g-mole/g-min)
1.56 X IO-6 IO"6 io-6 io-8 (6)*

1173 1.56 X 1.82 X 4.55 X
4.68 X 10-5 io-5 io'5 1.36 XIO-6 New Zealand
1273 4.68 X 5.44 X
Coke
4.74 X 10*4 io-4 IO-4 io-5
1373 4.74 X 5.51 X 1.38 X
(g-mole/g-min)
5.32 X 10“6 io-6 io-6 io-7 (6)**
1173 5.32 X 6.19 X 1.55 X
-5 -5 , -5 , ~-6 New Zealand
1273 3.74 X 10 3 3.74 X 10 0 4.35 X 10 1.09 X 10
Coke
3.26 X 10"4 IO-4 io-4 10“6
1373 3.26 X 3.78 X 9.46 X
Based on the data from P. C. Wy., "The Kinetics of the Reaction of Carbon with
Carbon Dioxide," Sc. D. Thesis, MIT (1949).
Based on data from W. K. Lewis et al., I/EC 40, 429 (1948).
III-4

1/80 61003
Table III.1-1, Cont. INTRINSIC REACTION RATE FOR CARBON-CARBON DIOXIDE
Rate in Rate
Original Rate in
g-mole/g g-mole/ni
Temperature, Rate g-mole/g(raw
°K Reported feed)-min Pure Carbon-min ---- Reference
5 X 10-3 io-3 io-5
1173 3.6 7.90 X 1.98 X (7)
4.86 X 10-3 io-3 io-5 Chars
1173 3.5 6.87 X 1.70 X
3.75 X IO-3 io'3 io-5
1173 2.7 5.27 X 1.32 X
1.67 X IO-3 XIO"3 IO"6
1173 1.2 2.25 5.63 X
2.36 X 10-3 10~3 io"6
1173 1.7 3.18 X 7.95 X
4.58 X 10'3 io-3 IO-5
1173 3.3 6.12 X 1.53 X
2.08 X IO-3 10-3 io-6
1173 1.5 2.69 X 6.73 X
9.17 X IO-4 io-3 io-6
1173 0.66 1.16 X 2.80 X
5.00 X IO-4 io-4 io-6
1173 0.36 6.24 X 1.56 X
8.61 X IO-4 io-3 io"6
1173 0.62 1.06 X 2.65 X
2.64 X IO-4 io"4 io-7
1173 0.19 3.21 X 8.03 X
4.17 X 10-4 io-4 io-6
1173 0.43 4.98 X 1.25 X
3.06 X 10~4 io-4 io-7
1173 0.22 3.47 X 8.68 X
3.89 X 10-4 io"4 io-6
1173 0.28 4.23 X 1.06 X
1.39 X 10'4 io-4 io-7
1173 0.10 1.49 X 3.73 X
(mg/h-mg)
6 X 10"8 3 X IO"7 3 X 10-7 6 X 10-8 (8)
1053
Graphi-
1.9 X IO-7 9.5 X IO-7 9.5 X 10"7 1.9 X IO-7
1100 tizing
3.3 X 10-7 1.65 X 10-6 io-6 3.3 X IO-7 Carbon
1124 1.65 X
(g/g-s)
3.5 X 10-5 3.5 X 10"5 10*5 io-7

1007 4.32 X 1.08 X (9)
1.13 X 10-4 1.13 X 10'4 io"4 io-7 Coconut
1055 1.40 X 3.50 X
Shell
2.71 X 10-4 2.71 X 10"4 10 4 10 7
1102 3.35 X 8.38 X Charcoal
(g-mo1/g-min)
III-5
1 N S T 1 T U T E OF G A TECHNO LOG Y
1/80 61003
References Cited
1. Gulbransen, E. A., Andrew, K. F. and Brassart, F. A., "Reaction of Graph

ite With Carbon Dioxide at 1000° to 1600°C Under Flow Conditions,"
Carbon 2, 421 (1965).
2. Rao, Y. K. and Jalan, B. P., "A Study of the Rates of Carbon-Carbon

Dioxide Reaction in the Temperature Range 839° to 1050°C," Metallurgical
Transactions 3, 2465 (1972).
3. Ergun, S., "Kinetics of the Reaction of Carbon Dioxide With Carbon,"

J. Phys. Chem. 60, 480 (1956).
4. von Fredersdoff, C. G., "Reactions of Carbon With Carbon Dioxide and

With Steam," IGT Res. Bull. 19, (1955) March.
5. Yang, R. T. and Steinberg, M., "A Diffusion Ceil Method for Studying
Heterogeneous Kinetics in the Chemical Reaction/Diffusion Controlled
Regime. Kinetics of C + CO2 2C0 at 1200° to 1600°C," Ind Eng. Chem.
Fund. 16, 235 (1977).
6. Reif, A. E., "The Mechansim of Carbon Dioxide-Carbon Reaction," J. Phys.

Chem. 56, 785 (1952).
7. Hippo, E. and Walker, P. L., Jr., "Reactivity of Heat-Treated Coal in

Carbon Dioxide at 900°C," Fuel 54, 245 (1975).
8. Marsh, H. and Taylor, D. W., "Kinetics of Carbon-Carbon Dioxide Reaction

Under a Continuous and Linear Increase in Temperature," Carbon 15, 265
(1977).
9 Godsby, J, Long, F. J., Sleightholm, P. and Sykes, K. W., "The Mechanism

of the Carbon Dioxide-Carbon Reaction," Proc. Rog. Soc. A. 193, 357 (1948).
III-6

1/80 61003
III.2. Moving Bed Gasifier Computer Simulation Model
After a few unsuccessful trials, the moving bed gasification simulator

program, obtained from Professor C. Y. Wen of West Virginia University, has
now been run successfully in the Institute of Gas Technology (IGT's) computer
center. This computer program can be used for two purposes:
• Preliminary design of a gasifier for commercial and

industrial applications.
• Parametric and process variables studies of a fixed
size moving bed gasifier.
In order to understand the capability and limitations of the program,

the assumptions of the computer model should be examined. Ten important
assumptions involved in this model are:
• The following set of reactions takes place in the gasifier:
C + (1 - 1/2 a) 02 a CO + (1-a) C02
c + h2o co + h2
h2o + CO h2 + co2
H2 + 1/2 02 H20
C + C02 ■ 2 CO
C + 2H2 ^ GHj
• Tar. CO, CO , H2 and CH, are evolved instantaneously, consequently

the length of devolatilization section is negligible.
• Volumetric reaction is assumed for all gas-solid reactions except
the combustion for which the shrinking core model is assumed.
• Heat transfer between the gas and solid is instantaneous.
• Temperature at the bottom of the gasifier is equal to the inlet
temperature of the gas mixture.
• Constant heat transfer coefficient and constant gasifier wall
temperature are assumed.
• Elemental hydrogen, oxygen, nitrogen and sulfur in coal are
released completely by devolatilization. Nitrogen appears as
nitrogen gas and sulfur appears as H2S.
• Devolatilization is thermally neutral.
• Gasifier pressure is constant.
• The radial effect on mass and heat transfer is negligible.
III-7
INST I T U T E 0 F GAS TECHNOLOGY

1/80 61003
Under these assumptions, a conceptual drawing of the gasifier is shown

in Figure III.2-1. A system of differential equations of energy and
material balances were formulated and solved numerically by using the
fourth order Runge-Kutta method. A comparison of the simulations with the
experimental results for three different types of coal in a fixed size
(10' X 10') Lurgy moving bed gasifier with Stirrer at Westfield are listed
in Table III.2-1. A design study on a moving bed gasifier was also conducted.
The effects of coal feed rate, pressure and temperature on the carbon conver
sion were obtained and are plotted in Figures III.2-2 through III.2-4. In
addition, results of carbon conversion vs. the length of reactor (for a
fixed diameter bed) with the coal feed rate as a parameter are generated
and plotted in Figure III.2-5. These results served as a general guidance
for simulation and design study.
COAL AGASES
DEVOLATILIZATION
SECTION
ASH + CARBON |
REACTION
SECTION
ASH a STEAM
+ +
UNREACTEU V OXYGEN
CARBON
Figure III.2-1. MODEL OF MOVING BED COAL GASIFIER
III-8

1/80 61003
Table III.2-1. SIMULATION RESULTS AND COMPARISONS
a) Pittsburgh 8 Coal Lurgi Gasifier (10' X 10')

With Stirrer
Expt. Simulated
CO 16,8 16.3
co2 31.3 30.9
H2 39.2 39.5
ch4 10.3 10.9
N2 1.6 1.6
H2S 0.7 0.8
Total dry product 771 792

gas (lb mole/hr)
Exit steam rate 1189 1171
(lb mole/hr)
Tar (Ib/hr) 425 480
T (°F) 1196 1196
exit
T (°F) 1928
max
Carbon conversion 98.9J' 99.0%

Heat loss 32
(10^ Btu/hr)
H.V. of dry product 285 285

gas (Btu/SCF)
b) Illinois 6 Coal Expt. Simulated
% CO 17.2 17.2
co2 31.1 30.2
H2 38.9 39.8
CH. 10.6 10.4
4
N2 1.2 1.4
h2s 1.0 1.0
Total dry product 1061 .1112
gas (lb mole/hr)
(lb mole/hr)
III-9

1/80 61003
Table III.2-1. (CONT.) SIMULATION RESULTS AND COMPARISONS
b) Illinois 6 Coal (Cont.)
Expt. Simulated
Tar (Ib/hr) 558 901

(tar recycle) (no recycle)
(°F)
exit 1122 1128
T (°F) 1848
max
Carbon conversion 99.0% 98.8%
Heat loss 28
(106 Btu/hr)

gas (Btu/SCF)
c) Rosebud Coal Expt. Simulated
% CO 20.2 19.7
co2 28.7 27.7
H2 36.4 35.8
CH. 13.0 15.1
k
N2 1.3 1.2
h2s 0.4 0.5
Total dry product 768 774

gas (lb mole/hr)
(lb mole/hr)
Tar (Ib/hr) 597 955
Textt (°F> 617 874
1847
Carbon conversion 98.7 96.7
Heat loss 21
gas (Btu/SCF)
III-10
INSTITUTE OF GAS TE CHNOLOGY

oo
o
z Feed Rate (Ib/hr)
0 7000 8000 9000 10000 11000 12000 13000 14000 15000
c
H
m
C Conversion
C Conversion
M
O I-*
> Height = 10 ft
Diameter = 10 ft
wall
Feed Rate = 8058 Ib/hr
Steam wt/Air wt = 3.245 : 0.621
0
1
z 10000 11000 12000 13000 14000 15000
o
r Feed Rate (lb/hr1
O O'
Figure III.2-2. EFFECT OF FEED RATE ON CONVERSION i-*
O o
o
-< OJ
00
z O
</>
H
P (psig)
H 0 50 100 150 200 250 300 350 400

C
C Conversion
C Conversion
</> Height = 10 ft
Diameter = 10 ft
Pressure = 350 psig
Steam wt/Air wt = 5.224 : 1
O
x
z
o P (psig)
r
Figure III.2-3. EFFECT OF PRESSURE ON CONVERSION
o
O'
o I-1
o
o
-<
1/80 61003
Wall Temperature,°F
500 600 700 800 900 1000 1100 1200

80
79
78
Carbon Cnnvprsion
77
76
75
Height = 10 ft
Diameter = 10 ft
Pressure = 350 psig
Feed Rate = 15000 Ib/hr 74
Steam wt/Air wt ■ 3.245
73
Wall Temperature,°F
Figure III.2-4. EFFECT OF WALL TEMPERATURE ON CONVERSION
111-13

oo
Length uf Gasifier ^rith Reactor Diameter - 10 ft o
z
v> 6 8 10 12 14
H
1.00
1.00
H
C
0.95
0.90
Conversion of Carbon
Conversion of Carbon
0.85
0.80
0.75
n
0.70
i 0.70
z
o
r
Length of Gasifier with Reactor Diameter = 10 ft)
o O'
M
o Figure III.2-5. CONVERSION VS REACTOR LENGTH IN C0NJUCTI0N O
o
WITH FEED RATE AS A PARAMETER LO
-<
1/80 61003
B. Work Forecast
For the carbon-carbon dioxide reaction, a regression analysis on the

rate vs reciprocal temperature in the range of 700° to 1600°C will be
performed and the activation energy of reaction in Arrhenius form will be
estimated next quarter.
Additional design information on moving bed gasifier using C. Y. Wen's
program will be generated for other types of coal. Conversion vs reactor
size at high ratios of air to coal and steam will be obtained.
III-15
I N S T I T U T e O F GAS TECHNOLOGY
1/80 61003
IV. DESIGN PROCEDURES
IV.1. Gas-Solid Transport
a. Dense Solids-Gas Down Flow
The down flow behaviors of dense solid-gas can be categorized as:

fluidized flow regime as discussed earlier in the Annual Report (1977)
and packed-bed flow regime. Prelininarv discussions on the standnipe
design in packed-bed flow regime have been reported in the Annual
Report of 1978. The complete and updated study of the packed-bed flow
in standpipes is presented in this report.
b. Standpipe Design in Packed-Bed Flow Regime
Table IV.1-1 summarizes the experimental work reported in the litera-

2
ture on the packed-bed flow in standpipes. Judd and Dixon measured the
standpipe pressure drop in the packed-bed flow regime using iron ore as th'.
solid-phase, but they did not compare their results with the available
correlations. Table IV.1-2 summarizes the published correlations on the
pressure drop for packed-bed flow in standpipes.
3
Happel correlated his pressure-drop data by using the concept of
4
friction factor of Chilton and Colburn. Demeter and Haynes correlation
is similar to Happel's correlation but has different numerical coefficients
However, Demeter and Haynes did not propose a correlation between friction
factor (fm) and Reynold numbers (NRpm) with continuous functions of pipe
diameters. Therefore this correlation has very limited application. Yoon
5 6
and Kunii proposed a modification of Ergun*s equation for pressure drop -ft
1. Initltuta el Caa Tacbnolonr, "Preparation of a Coal Cotrreralon Sjrataaa Taehnleal Data Book," Projeet8979
1979 Annual Baport, EKDA Contract !»o. P-76-C-01-2286.for the peroid of May 1,1»76 to April 30, 1977,
n-2 286-16.
2. Judd, M. ». and Dixon, P. D., "The Plow of Pine Danaa Solids Down a Vartleal Standpipe," Dept, of Chaa.
Eng., Onlv. of Matal, South Africa (1976).
3. Bappal, J., "Pressure Drop Due to Vapor Plow Through Mowing Bads," UEC 41, Mo. 6, 1161-74 (1949).
. 4. Daaatar, J. J. and lapnas, V. P., "Downward-Plowing Cradular Solids as Praasura Seals In Vertical Standpipes,"
Bureau of Minas Report, Ht-23 U-7 No. 3745 (1961).
5. Toon. S. M. and Kuail, D., "Gas Plow and Prasaura Drop Through Moving Bade." I6EC Process Das. Developaent.
9. No. 4, 559-65 (1970).
6. Ergun, S., "Fluid Flow Through Packed Columns," Chaa. Eng.Prog. 48, 89-94 (1952).
IV-1

1/80
z
«/> Table IV.1-1. SUMMARY OF THE EXPERIMENTAL WORK ON PACKED-BED-FLOW IN BOTTOM-CONSTRAINED STANDPIPES
Particle Particle Standpipe Standpipe Solids Mass

Diameter, Density, Diameter, Length, Velocity,
—i Investigations Material inches Ib/f t^ inches__________ ft________ Ib/f t^-s
c Happel (1949)1
Catalyst, 0.054-0.167 62.4-218.4 2,4,8,10 2.17, up to 40
seeds, alumina 4, 6
2
Demeter and Haynes Alan-Wood 0.0041 299.3 2,4 6 1.92-80.3
(1961) magnetite
o Yoon and Kunii Glass beads 0.0052- 154.8 1.614 0.23 up to 10.21
-n (1970) 0.0445
IV- 2
>
e/>
m
n
x
z —
1. Happel, J., "Pressure Drop Due to Vapor Flow Through Moving Beds," I&EC 41. No. 6, 1161-74 (1949).
2. Demeter, J. J. and Haynes, W. "Downward-Flowing Granular Solids as Pressure Seals In Vertical

r Standpipes," Bureau of Mines Report, TN-23 U-7 No. 5745 (1961).
° 3. Yoon, S. M. and Kunii, D., "Gas Flow and Pressure Drop Through Moving Beds," I6EC Process Des.
61003
Develop., 9, No. 4, 559-65 (1970).
Table IV.1-2. SUMMARY OF PUBLISHED CORRELATIONS ON THE PRESSURE DROP FOR
1/80
PACKED-BED FLOW IN STANDPIPES
z
2f p U
Happel (1949) AP
—P. S 8
L
c 1630
where f for NR€ <5
m
Re m
m
f 1000 200
m for 5 <N„ <200
N N 0.22 Re
Re Re m
o m m
-n 207
f for NRe > 200
m 0.22
Re m
IV-3
m
Demeter and 2f p U
Haynes (1961) AP —■ 8 S
>
cn
L
t
1500
f f°r NRe < 5 in 2 in. ID pipe
m N
H Re m
m
m
n f
1200
m for NRe <5 in 4 in. ID pipe
i N
Re m
z m
o
r- 150„|(Vg-V.)|»- <)■
Yoon and Kunii AP
o (1970) D2C2
61003
o P P
■<
1/80
Table IV.1-2. (CONT.) SUMMAK. OF PUBLISHED CORRELATIONS ON THE PRESSURE DROP FOR
PACKED-BED FLOW IN STANDPIPES
(l-e)2M2 1.75 p
V -V V -V
Mehta and Hawley's AP 1 g s + ------ s_ g sl
Modified Ergun L °p2'2
D 3
Equation (1969) pe
4D
where M = 1 +
6Dt(l-r)
— = -- C
o
(1 + k (i-e)1/3)
.. /Q r (v -v ) v -v
—S—®
(l-e)
Barnea and Mednick
l 4 ldi; ^ k (i e) ; npgc
IV-4
Modified Equation
> where Cn = (0.63 + ~^)2

</» Dr KC
D p V -V
PS -JB—8 -5(l-f)/3r
and Rc ~ exp
c
y(l-c)
n
x
z
o
61003
o
-<
1/80 61003
a fixed bed to estimate pressure drop characteristics In a packed-bed flow.

They replaced the superficial gas velocity term in Ergun's equation by the
slip (relative) velocity. The modified Ergun's equation is given in Table
IV.1-2. The direction of the pressure drop depends on the relative values
and directions of V and V . If V and V are both defined as positive for
g s g s
a downward flow, we would then have a pressure drop from the top to the
bottom end when V >V and from the bottom to top when V <V . The above
g s ^ g s
mentioned correlations have been discussed in detail previously.
2
Mehta and Hawley consider the wall effect in packed columns by modi
fying the Ergun correlation. The wall effect could be important for column
3
to particle diameter ratios of 8:1 to 50:1. In the development of Ergun's
equation Mehta and Hawley introduced the hydraulic radius as a characteristic
length of the packed bed. When the column diameter is much greater than the
particle diameter, the wall should have little effect on the characteristic
length. For small column to particle diameter ratios the characteristic
length should depend on the wall present. The hydraulic radius depends on
both the column and particle diameter.
The hydraulic radius for a column of diameter Dfc packed with particles
of diameter D is expressed as:
P
R = ____ 2__ (IV.1-1)

n 6(l-e)M
where —
(IV.1-2)
Mehta and Hawley modified Ergun's equation in view of the effect of particle
column diameter ratios based on hydraulic radius contribution as the1 2 3
1. Institute of Gas Technology, "Preparation of Coal Conversion Systems

Technical Data Book," Project 61003 Annual Report, U.S. DOE Contract
No. EX-76-C-01-2286 for the period May 1, 1977 through April 30, 1978,
FE-2286-32.
2. Mehta, D. and Hawley, M. C., "Wall Effect in Packed Columns," Ind. Eng.
Chem. Proc. Des. Sev., JJ, No. 2, 280-83 (1969).
3. Ergun, S., "Fluid Flow Through Packed Columns," Chem. Eng. Prog. A8,
89-94 (1952).
IV-5
1/80 61003
characteristics length. The modified Ergun's equation can be expressed as:
2 2 1.75 P U 2 (l-e) M
150y U (l-e; MZ
AP ___ ______ g g_________ (IV.1-3)
L D 2 1 D e3
e
P P
The parameter M as defined in Equation IV.1-2 takes into account the

effect of particle to column diameter ratios, if M = 1 (i.e., D^/Dt<<l)
Equation IV.1-3 reduces to Ergun original equation, as expected. Following
Yoon and Kunii extension of Ergun's equation for pressure drop in packed bed.
Equation IV.1-3 can be expressed as:
150y Iv^-Vj (l-e)2 M2

1.75 P (V -V ) V -V (l-e) M
AP g g 1 g s1 v (IV.1-4)
+
L 2 2 3
D e D e
P P
The above equation, as modified by Mehta and Hawley on pressure drop for packed
beds flow system, has been shown in Table IV.1-2.
Barnea and Mednick'' presented a general correlation for pressure drop
through fixed beds of spherical particles based upon a discrete particle model
corrected for particle interaction. The application of their model is limited
to fixed bed of randomly arranged spherical particles having a narrow size
distribution which can be represented by an average characteristic size.
.lOwever, range of applicability may be extended by modification and inclusion
of the average particle size definition and wall effect corrections. Barnea
and Mednick considered the following relation between the pressure gradient
and the drag force in a multiparticle system.
AP
NF (IV.1-5)
L D
where F^ is the drag force enerted on a single particle and N is the number
of particles per unit volume.
6(l-r)
N = (IV.1-6)
7: D 3
P
1. Barnea, E. and Mednick, R. L. "A Generalized Approach to the Fluid

Dynamics of Particulate Systems Part III: General Correlation for
pressure drop through fixed beds of spherical particles," The Chemical
Engineering journal JL5 215-227 (1978).
IV-6
institute of gas technology
1/80 61003
For a single particle In an infinite media, a drag force can be expressed:
TT
F Pg DP (IV.1-7)
D 8gc
where Cj)E Is the drag coefficient for single particle in an indefinite media.
Following the drag force expression for single particles in an

infinite media and substituting the value of F^ in Equation IV.1-5, for
multiparticle systems, we can rewrite Equation IV.1-5 as:
AP 6 (l-e) TT
(IV.1-8)
Dc P g DP
NF, U
L TTDp3
or
3C p8 Us (1-e)
AP =
(IV.1-9)
L 4 D D g
P c
CD (1 + K (l-e)1/3)e-2
where — = (IV.1-10)
ue
The value of constant K depends on particle arrangement tending to

increase with more even particle distribution in space. It is therefore
anticipated that the value of K should be significantly higher for randomly
arranged fixed beds of spherical particles reflecting their higher resis
tance to flow compared with the corresponding low resistance fluidized beds
which the value of K is equal to 1.0.
The approximate value of the modified drag coefficient Cj)e can be

represented by the following equation:
CDe = (0.63 + |^)2

(IV.1-11)
K-Cg;
where —
U D„ p
B P g 1
e exp (5(l-e)/3e) )
(IV.1-12)
y„ (l-e)
IV-7
1/80 61003
Therefore Barnea and Mednick's equation for the pressure drop in fixed bed
can be expressed as:
f - I CD U + K (l-e)1/3) P8U8
(IV.1-13)
D £2 g
p t- c
The above pressure drop correlation can be modified and applied to

standpipe operations in the moving packed bed. We replaced the superficial
gas velocity term in the Barnea and Mednic equation by the slip (relative)
velocity to account for the relative movement between gas and solids in the
standpipe. This modified equation is also given in Table IV.1-2. The
sign of the pressure drop depends on the relative value between V^ and Vg.
If V and V
are both defined as positive for a downflow, we would then
g s
have a positive pressure drop from the top to the bottom, when V > V^
and negative from the bottom to the top end when V^< Vg. It should be
pointed out that a packed bed voidage and appropriate value for K are
required for the pressure drop calculation in using this equation. The
modified Barnea and Mednick's equation can be represented as:
<v -V) V -V
M 1/3
L _ 2
4 r (1 + K(1 S s (IV.1-14)
LD
Dr^
P C
= (0.63 + 4^)1
2
where (IV.1-15)
Dp V V
and = P g g s
Pg(l-e)
exp -5(l-e)/3e (IV.1-16)
Packed bed pressure drop data of Happel (1949), Demeter and Haynes (1961)
and Yoon and Kunii (1970), were compared with pressure drop correlations of
Yoon and Kunii (1970), Mehta and Hawley (1969) and Barnea and Mednick (1978).
The complete comparison and discussions of the results will be presented in
the next Quarterly Report. However, there are no data on the pressure drop
for standpipe operation with coal in the literature, which can be compared
with results calculated from design correlations.
1. Barnea, E. and Mednick, R. L., "A Generalized Approach to the Fluid
Dynamics of Particulate Systems Part III: General Correlation for
Pressure Drop Through Fixed Beds of Spherical Particles," The Chemical
Engineering Journal 15 215-227 (1978).
IV-8
1/80 61003
IV.2. Coal-Solvent Slurry Heating
During the past quarter, we have revised the analytical procedure for the
data from the Solvent Refined Coal (SRC) pilot plant in Wilsonville, Alabama.
All the runs (Runs 64-88) pertaining to Kentucky 9 and 14 coal were re-analyzed.
Higher order polynomial interpolation were used instead of quadratic inter

polation between the reported thermocouple temperatures for bulk fluid and
coil skin. Overall heat balances were also made over differential tube
elements (~19 feet long) of the preheater, relating local fluid and coil
temperatures with the apparent local heat transfer coefficients to account
for the change of slurry properties with temperature. The heat transfer
coefficients, calculated using Sieder-Tate and Crewe-Simons correlations,

were compared to the experimental values. Ue also compared the viscosity,
back-calculated from Sieder-Tate and Crewe-Simons correlation, with that
given by the mathematical model based on the SRC batch autoclave data.
a. Experimental Temperatures Profiles
Previous studies, which used quadratic interpolation between reported

thermocouple temperatures, did not always produce physically meaningful
results. For example, bulk fluid temperature decreases along the tube
length was noticed in Runs 66 (2/24/76) and 67 (3/3/76). This obviously
is not realistic. Also, the overall heat flux profile calculated from the
bulk fluid temperature curve was rather uneven.
Both the bulk fluid and coil skin temperatures should be smooth monoton
ically increasing functions along the tube length, unless proven otherwise
by experiment. Interpolating functions like y = A + B e were considered,
but were dropped due to the difficulties in computation. A subroutine was
developed to allow any higher order polynomial interpolation between the
reported thermocouple temperatures. The polynomial order is limited,
however, by the number of experimental data points available for each run.
A third order polynomial interpolation was chosen to interpolate the coil
skin temperatures and a 5th order polynomial was chosen for the bulk fluid
temperatures. This resulted in a smoother overall heat flux and temperature
profile as shown in Figures IV.2-1 through IV.2-4 for Run 68.
IV-9
1/80 61003
7?0. Run 60 - C
B - Bulk Temperature c.
*72.
dM) •
*4H,
d 17. r
tt?5.
Hi 3.
"I’l. t
f*9. C
177 •
C Q
(S3.. C “J
(41 . r a
(29. r
c
/1 7 • 4
r
6W3. C a
6H2. r C
,W0* C f
©Sti. C
r 5
CF)
t*46 •
t3*»*
6?2. 4
M0. t a
B
C 5
574 • 8 8
562. n R ft
bSo. C 8
538. D
>?7 • C
MS.
503. 6
479.
4tW. H
45S. C
44 3 *
431 . R
4)9.
407. 9
J'VS.
l«3.
J72. C .1
360.
J4 4.
336. A
324 .
31?.
300. u
i « l l • t • • I t •
^bJ.SHa 31?.^04 361»4?0 410.336 459,?S? * 508.16ft 5^7.004 606.000
Tube Length (ft)
Figure IV.2-1. CALCULATED TEMPERATURE PROFILE ALONG PREHEATER TUBE

LENGTH (Second Order Polynomical Interpolation of Coil Skin
and Bulk Fluid Temperatures)
IV-10

1/80 61003
925. 1
910.
894.
679.
864.
848. Run 68 c
633. OC CO
617. C * Predicted Coil Temperature c
602. B = Predicted Bulk Temperature 11
787. 0 * Experimental Coil Temperature 0
771. X = F.xoerfmental Bulk Temnerature c R
756.
741. C B
725. c c
710. C e
695. o c B
679. C c
664. c •
648. c 8
633. r B B
616. C B
602. oc X B B
567. c B B
572. B
556. a
CF)
C B
541. c B
526.
510. XB
495. r n
479.
464. C B
449. B
433. C
418. B
403.
387. 0 b
372.
356.
341. B
326.
310. a
295.
280.
264.
249.
234.
218.
203.
’'7.
* 72.
157.
141.
126. J
• I « • « • « t I I •
0.000 60# US 120.290 180U95 240.560 300.725 360.670 421.015 461.160 541.305 601.450
Tube Length (ft)
Figure IV.2-2. CALCULATED TEMPERATURE PROFILE ALONG PREHEATER TUBE LENGTH

(Third Order Polynomial Interpolation for Coil Skin Temperature
and Fifth Order Polynomial Interpolation for Bulk Fluid Temperature)
IV-11

1/80 61003
Run 68
6157* 0
79.77 •
7797. 0 0
7617* a
7437*
7257* u
7077* U 0
6697* a
6718*
6538* 0 (
6358*
6178*
6998* G
bttlfl.
6638*
6450.
Overall Heat Flux(Btu/ft -hr)
6278.
6098c Q
4918*
4738*
4558* • 0
4378*
4198*
4018* 0
3638*
3658* 0 0
3478.
3298* Q
3118.
4938*
4759* 0
4679* Q
4399*
2219*
4039*
1659*
1679*
1499* Q
1319*
11.39*
959.
779.
699*
h19* Q
439*
59* C1 0
-121.
-301.
-481*
-661.
-641.
-1021*
-1201* U
..
• t --------- r
126*643 173*583 2?0.S44 267,501 01^461 361,420 4Q6^379 455,339 502*296 549,257 596,217
Tube Length (ft)
Figure IV.2-3. OVERALL HEAT FLUX ALONG PREHEATER TUBE LENGTH

(Using Inerpolated Temperatures in Figure IV.2-1)
IV-12
INSTITUTE OF GAS T E C H N 0 L O G Y
1/80 61003
Run 68
9770.
Overall Heat Flux(Btu/ft -hr)
6973.
6679.
126.532 173*055 219.*577 266,100 312.622 359,149 405,666 452,196 496,713 545.235 591,756
Tube Length (ft)
Figure IV.2-4. OVERALL HEAT FLUX ALONG PREHEATER TUBE LENGTH

(Using Interpolated Temperature Values in Figure IV.2-2)
IV-13
1/80 61003
Figure IV.2-1 shows the predicted coll skin and bulk fluid temperature
profiles for Run 68 using a parabolic interpolation fit. The bulk fluid
temperature profile decreases between 312 - 360ft due to the parabolic
interpolation technique and not the experimental data. Changing the
interpolation technique (3rd order polynomial for coil skin temperature
and a 5th order polynomial for bulk fluid temperature), as in Figure IV.2-2,
improves the profile to coincide more logically with the experimental data.
Figures IV.2-3 and IV.2-4 show the calculated overall heat flux using the
above bulk fluid temperature profiles for Run 68. A smoother overall heat
flux curve as shown in Figure IV.2-4 is due to a better temperature profile.
b. Physical Properties of Slurry
In order to estimate the local heat transfer coefficient, various

thermal and transport properties of slurries, such as specific heat, thermal
conductivity, and viscosity are needed. These properties are calculated as
described in the 1977 Annual Report with the exception of the following
modifications in viscosity and thermal conductivity calculations.
1) Viscosity
For each run, we selected the peak viscosity temperature for the model
from the viscosity temperature curve back-calculated by means of Sieder-Tate
a"J Crewe-Simons correlations (value of parameter, n, was adjusted for each
run to achieve this). In previous calculations we had assumed a constant
peak viscosity temperature (constant n in the model), which caused the
calculated heat transfer curves to shift away from the experimental heat
transfer curves, if the peak viscosity temperatures in the two cases did
not match. It may be possible to relate the peak viscosity temperature
to the operating conditions of the preheater.
The slurry viscosities predicted from the SRC autoclave model were
compared to those back-calculated by Sieder-Tate and Crewe-Simons
correlations as shown in Figures IV.2-5 and IV.2-6. For low coal
concentration in the slurry (~24 wt %), the Sieder-Tate correlation
predicts the viscosity better than that of the Crewe-Simons correlation
However, for higher coal concentration ('38 wt %), the situation is
reversed.
IV-14
1/80 61003
1----------
11.07 Run 64 y w
10.gs
T ■ Back Calculated from Sieder-Tate w
10.63 Using Coefficients Calculated Directly
10.61 W ■ Back Calculated from Crewe-Simon Using
10.19 Coefficients Calculated Directly
9.97 y
M * Mathematical Model
9.75
9.53 y
9.31 M M M y
9.09 M M
S.87 M
8.65 M
8.63
8.21
7.99 M
7.77 M
7.55 w
7.33
7.11
6.89
Viscosity, In V (cP)
6.67 H m y
6.65
6.23
6.01
5.79 . y
5.57 V
5.35 y
5.13 T T y
6.91 M T T M
6.69 T y
6.67 T
6.25 T
6.03 y
3.81 T
3.59 T
3.37 y
3.15 y T T
2.93 M M
2.71 T
2.69 T
2.27 M T
2.05 *
1.83 _M M T T
1.61 * T
1.39 T
1.17 * T M
0.95 « M
0.73 T
0.51
0.29 r
0.07 T
-0.15
-0.37 •
1
-----------
126.532 173.055 219.577 266.100 312.622 359.165 605.668 652.190 698.713 565.235 591.758
Tube Length (ft)
Figure IV.2-5. VISCOSITY PROFILE ALONG PREHEATER

TUBE LENGTH (Run 64)
IV-15

1/80 61003
7.12 Run 88 1 W W
6.99 w
6.85 T ■ Back Calculated from Sieder-Tate M V
6«7l Using Coefficients Calculated Directly
6*57 W - Back Calculated from Crewe-Simon Using
6.43 Coefficients Calculated Directly
6*29 M - Mathematical Model M
6.15
6*01
5.67 * W 4
5.74
5.60
5.46 V
5.32 W
5.18
5.04 «
4.90
4.76
4.63
Viscosity, In y (cP)
6.69 W
« 6.35 V.
6.21
a 6.07 M
^ 3.93 W M M
. 3.79
5 3.65 « M
"« 3.Si H
2 3.36 N
“ 3.24
3.10
2.96 M T T M
2.82 T T T
2.68 1 T
2.56 * T
2.60 T T T M
2.27 T M
2.13 T T T T
i .99 M T
1.65 T T M M T
1.71 T T •
1.57 M M M
1.43 M M M M M M
1.29 H
I.15 7 t
1.02
0.88
".76
J.60
0.32
0.18
0.06
-0.09
1
• « t • • • •
126.532 173.055 219.577 2*6.100 312.622 359.165 605.665 652.190 698.713 565.235 591.758
Tube Length (ft)
Figure IV.2-6. VISCOSITY PROFILE ALONG PREHEATER

TUBE LENGTH (Run 88)
IV-16

1/80 61003
2) Thermal Conductivity
Thermal conductivity of slurry was evaluated, using the procedures

developed and described in the 1977 Annual Report of the Data Book project.
The effects of hydrogen was not considered previously in estimating the
slurry thermal conductivity. To account for hydrogen in the slurry,
Tareef's equation was used first to determine the coal/liquid thermal
conductivity and then the gas/slurry thermal conductivity was determined
using Tareef's equation. The thermal conductivities calculated using this
procedure has not significantly altered the thermal conductivity values
from the previous method (using two-phase system).
c. Heat Flux
Overall heat flux was calculated, over a differential tube element of

the preheater, from the increase in fluid temperature and the specific heat
of slurry. The experimental heat flux shows a minimum in the heat flux vs.
preheater tube length curve. This is probably caused by very high viscosity
of the slurry in this region and/or by the endothermic heat of coal
dissolution in this part of the tube. This minimum is found to be in the
temperature range of 560° - 6550F for the Kentucky No. 9 and 14 coal. Near
the preheater tube exit, some runs show a maximum in the heat flux vs.
preheater tube length curve. This may be caused by coking and/or
exothermic heat of reaction.
The overall heat flux is calculated from the increase in the heat
content of the fluid, and it takes into account the endothermic/exothermic
heat of reaction, hydrogen solubility in the slurry and solvent vaporization.
This flux does not represent the actual heat flux from the fixed side of
the heater and cannot be used to calculate actual inside heat transfer
coefficients. Thus, apparent heat transfer coefficients are calculated
based on overall heat flux.
d. Apparent Heat Transfer Coefficient
The experimental, apparent local heat transfer coefficients were

calculated for all Kentucky No. 9 and 14 coal type runs, using local fluid
IV-17
1/80 61003
and coil temperatures and an overall heat flux (obtained using previously
described temperature interpolation procedures) over a differential tube
element of the preheater. These experimental coefficients were compared
with coefficients calculated using the Sieder-Tate and Crewe-Simons
correlations. Figures IV.2-7 and IV.2-8 show that, generally, the Crewe-
Simons correlation overestimates the apparent heat transfer coefficients
and the Sieder-Tate under-estimates them.
Actual heat transfer coefficients can be calculated only if the

actual heat flux, supplied by the fired side of the heater, is calculated.
This can be accomplished by accounting for the heat of reaction, hydrogen
solubility and heat of solvent vaporization.
IV-18
1/80 61003
142.03 1 i 1
'---------- ----------- ----------- ----------- -----------' 9
139.32 Run 64 (Coal Cone. * 38 wt T ' 9

136.60
133.89 W ■ Crewe-Simon Correlation W
131.18 T ■ Sieder-Tate Correlation
128.46 .... . E = Experimental UsinB Direct. Heat Flux 9
125.75
123.04
120.32
117.61 9
114.90
112.19
109.47
106.76 E
104.05
Apparent Film Heat Transfer Coefficient, Btu/ft -°F-hr
101.33
98.62
95.91 t
93.19
90.48
87.77 E
85.05 E *
82.34
79.63 9
76.91 w T
74.20 E C
71.49 9 T
68.77 T
66.06
63.35 W w T
i
60.63 E E
57.92
55.21
52.49 9
m
49.78 E
47.07 T
44.35 T c
41.64 9
38.93 T £
36.21 9 E
33.50
30.79 9 F
1
28.07 W
25.36 T E T
*2.65 ■ 9
19.93 W 9 9 t1 9 9 E
17.22 E 1 E E
14.51 T ____ T
11.79 E £ T
9.06 T
6.37 ITT
3.65 T T
f » 1
______
1----------- 1
126*532 173*053 219.577 266.100 312.622 359.145 405.668 452.190 498,713 545.235 591.758
Tube Length (ft)
Figure IV.2-7. APPARENT FILM HEAT TRANSFER COEFFICIENTS ALONG

PREHEATED TUBE (Run 64)
IV-19
INSTITUTE OF GAS T E C H N 0 L 0 G Y
1/80 61003
Run 88 (Coal Cone. 24 wt 2)
Crewe-Simon Correlation
Sleder-Tace Correlation
Exoerimental I'sing Direct Heat Flux
108.73
Apparent Film Heat Transfer Coefficient, Btu/ft - F-hr
102.58
100.53
86.19
73.90
71.85
59.56
51.37
39.08
30.88
1?6«S32 173.054 219.577 266.100 31?.622 359.165 405.666 462.190 498.713 545.235 591.7S8
Tube Length (ft)
Figure IV.2-8. APPARENT FILM HEAT TRANSFER COEFFICIENTS ALONG

PREHEATER TUBE (Run 88)
IV-20
INSTITUTE OF GAS T E C H N 0 L O G Y
1/80 61003
IV.3. Thermodynamic Analysis
The usual method of thermodynamic analysis has been to use the First
Law of thermodynamics to calculate the thermal efficiency. However, the
thermal efficiency is not always a rational parameter for describing energy
transformation processes. The problems in this approach arise because
different materials and states of these materials can, at the same enthalpy
level, contain different amounts of available energy (availability).
Combined First and Second Law analyses are more comprehensive in showing
that some availability is always consumed in inherently irreversible energy
transformation processes even if they are carried out adiabatically. The
procedures for estimating this consumption of availability are outlined in
this section.
a. Concept of Availability
The availability, B, of a flowing fluid is related to its enthalpy and

entropy by the expression:
B = H — TS-Ey.y IV. 3-1

o Ji o
i
where:
H = enthalpy
T = temperature of the reference environment
S = entropy.
y. = mole fraction ofcomponent i in the fluid
y = chemical potential of component i in the reference environment.
For a pure substance:

IV.3-2
y = H - T S
o o o o
And, Equation IV.3-1 can be reduced to the familiar expression:
B = H - Ho - To (S - So) IV. 3-3
where H and S are, respectively, the enthalpy and the entropy of the
o o
substance after complete equilibration with the reference environment.
IV-21
1/80 61003
It is convenient to choose the datum for enthalpy calculations such that

H =0, and Equation IV.3-3 can be reduced to;
o
B = H - T
(S - S ) IV.3-4
o o
so that enthalpy, H, is the total amount of heat that could be derived from
a process that brings the substance in equilibrium with the reference
environment. The availability, B, is the maximum work that could be obtained
from such an equilibration process. In other words, the availability of any
substance is a measure of the available energy that the material possesses by
virtue of its not being in equilibrium with the reference environment.
b. Reference State
The choice of the reference state is arbitrary if our interest is limited
to the changes in availability of materials as a result of physical and
chemical processing. However, if we are also interested in estimating the
amount of availability lost with the process effluents, it is convenient to
choose the actual environment (into which the process effluents are rejected)
1-3 4
as the reference environment. Gaggioli et al. and Singh et al. have
used such a reference environment (Table IV.3-1) to analyze coal gasification
processes. The other choice of reference state, which is shown in Table IV.3-1
and attributed to Sussman,^’^ is based on products of combustion in their
standard state of aggregation. The availability based on this standard

st ite has been referred to as "standard chemical availability" in the
5,6
literature.
1. Gaggiololi, R. A. and Petit, P. J., "Second Law Analysis of Fuel Conversion

Systems", A.C.S. Symposium Series 21, No. 2, 56-69 (1976).
2. Gaggiololi, R. A. and Petit, P. J., "Use the Second Law, First," Chem.
Tech. 7, 496-506 (August 1977).
3. Gaggioli, R., Rodriguez, L., and Wepfer, W., "A Thermodynamic-Economic

Analysis of the Synthane Process, Final Report". Submitted to the
U.S. Department of Energy, November 1978.
4. Singh, S. P., Weil, S. A., and Babu, S. P., "Thermodynamic Analysis of

Coal Gasification Processes, " Paper presented at the Second Law of
Thermodynamics Workshop, George Washington University, Washington, D. C.,
August 14-16,1979.
5. Sussman, M.V., Availability, Enthalpy and Entropy — A Self-Study Module,

Massachusetts Institute of Technology, Cambridge, Masschusetts, 1976.
6. Sussman, M. V., "Standard Chemical Availability," Chem. Eng. Prog., 76

No.1,37-39 (1980).
IV-2 2

1/80 61003
Table IV.3-1. DEFINITION OF REFERENCE ENVIRONMENT AND STANDARD STATE
Reference Environment Standard State
Principal Promote* Gaggioli Sussman

T/K 298.15 298.15
Gas Inase
Partial Pressures, atm*
N2 0.7649 1
°2 0.2035 1
CO, 0.0003 1
h2o 0.0313
S0„ 1
1.0000
Condensed Phases h2o

at 1 atm
CaSO..2H_0
4 2
NaCl
etc.
* 1 atm = 0.101325 MP
a
IV-2 3
1/80
61003
Singh et al. has shown that the choice of the reference environment or
the standard state, leads to the same results when it is used according to its
definition.
c. Availability Calculations
All of the availabilities calculated in this section are based on the
reference environment defined in Table IV.3-1. For convenience, the thermo
dynamic properties are generally estimated for gaseous mixtures at
Tq = 298.15 K and Pq = 0.101325 MPa (1 atm) and then corrected for changes
in temperature, pressure, and state of molecular aggregation using
2 3
standard thermodynamic procedures. The properties of gaseous mixtures at
Tq and P^ can be computed by the following relationships:
H = £ IV.3-5
B = £ y. (B. + RT In y.) IV.3-6

•'l l o i
where —
y^ = mole fraction of species i in the mixture

= gas phase enthalpy of species i at Tq and Pq
= gas phase availability of species i at Tq and P^
and
R = universal gas constant = 8.31433 J mol K
The recommended values of IL and B^ are given in Table IV.3-2.
1. Singh, S. P., Babu, S. P., and Naphfali, L. M., "Thermodynamic Analysis

of Coal Conversion Processes — A Review," Paper presented at the Third
Annual Meeting of AIChE, San Francisco, California, November 25-26, 1979.
2. Gaggioli, R., Rodriguez, L., and Wepfer, W., "A Thermodynamic-Economic

Analysis of the Synthane Process, Final Report". Submitted to the
U.S. Department of Energy, November 1978.
3. Singh, S. P., Weil, S. A., and Babu, S. P., "Thermodynamic Analysis of

Coal Gasification Processes, " Paper presented at the Second Law of
Thermodynamics Workshop, George Washington University, Washington, D. C.,
August 14-16,1979.
IV-24
1/80 61003
Table IV.3-2. GAS PHASE ENTHALPIES AND AVAILABILITIES AT 298.15 K

AND 0.101325 MPa (1 atm) BASED ON THE REFERENCE
ENVIRONMENT DEFINED IN TABLE IV.3-1
X B±
Species
kJ/mol kJ/mol
Ammonia 383.33 337.25
Benzene 3303.68 3300.75
Biphenyl (C12H10) 6337.61 6386.92
Carbon Dioxide 0 20.11
Carbon Monoxide 283.15 275.41
Carbon Oxysulfide 871.75 828.78
Ethane 1560.89 1474.67

Hydrogen 286.03 235.36
Hydrogen Chloride 40.49 40.24
Hydrogen Cyanide 667.42 649.04
Hydrogen Sulfide 882.33 784.02
Methane 890.93 830.68
Naphthalene (C-igHg) 5232.87 5273.39
Nitrogen 0 0.69
Oxygen 0 3.95
Phenol 3124.27 3140.07
Propane 2221.52 2150.42
Sulfur Dioxide 319.43 285.33
Toluene 3950.54 3939.28
Water (Vapor) 44.05 8.60
IV-2 5
1/80 61003
The empirical procedure given below is recommended for computing

enthalpy and availability of coals, chars, and tars because methods based
on molecular structure and properties of chemical species in coal have not
yet been developed. Based on the ultimate analysis, the moisture and ash
free material is represented as CHnOmNpSq. Its enthalpy and availability
at Tq and PQ are estimated by the following correlations:
H, KJ/mol = 406.29 + 291.32(n/2 - m) + 620.88 q IV.3-7
B, KJ/mol = 408.46 + 135.01 n-261.38 m + 27.63 p + 580.83 q IV.3-8
(1 + n/4 - m/2 + q)
+ 2.4789 In
,P/2
C0„ 'N„
where y , y , and y are the mole fractions of 0_, C0_, and N0 in the
reference environment. The heating values of coals, chars, and tars are
represented by Equation IV.3-7 with a standard deviation of approximately 500
kJg \ which is nearly 2% of the heating values of these materials. The
standard deviation can be reduced to less than 1% if a specific set of

coefficients is fitted for the particular coal and char under investigation.
Because the heating values can be measured with an uncertainty of 0.2%
to 0.3%, the reliability of correlations such as Equation IV.3-7 must be
limited by the lack of understanding of the exact structure and properties of
coal materials. The availability correlation (Equation IV.3-8) is
based on Equation IV.3-7 for enthalpy and another empirical correlation
for entropy. Similar correlations for the ratio of availability to
lower heating value have been discussed by Rodriguez and Petit.^ The
enthalpy and availability of moisture and ash are negligible at Tq and Po>
1. Rodriguez, L. and Petit, P. J., "Calculation of Available Energy Quantities

Paper presented at the 176th ACS National Meeting, Miami Beach, Florida,
September 10-15, 1978.
IV-2 6
1/80 61003
d. Applications
The applications of thermodynamic analysis in process evaluation will

be illustrated with analyses of advanced power generation systems. The
design data for these power generation systems are taken from the Energy
Conversion Alternatives Study (EGAS)—Phase II. Detailed analysis of the
Advanced Steam Cycle with Atmospheric Fluidized Bed Boiler is presented
next followed by a summary of the results for six other systems described
in the EGAS report.
1) Advanced Steam Cycle — Atmospheric Fluidized Bed Boiler
The advanced steam cycle power plant with atmospheric fluidized beds
(AFB), as conceptualized by the General Electric Company/Bechtel for EGAS,
Phase II System Study, achieves the functions of combustion, steam generation,

and sulfur capture in the four modular AFB's that replace a conventional
steam boiler requiring wet flue gas scrubbers to remove sulfur dioxide. A
simplified schematic diagram of this system is shown in Figure IV.3-1. The
furnace system includes the AFB’s, solid handling systems for coal and ash,
fans for air and flue gas, and the stack. The steam is expanded at three
pressure levels using turbines connected in tandem with a single generator.
Most of the steam from the low pressure turbines is exhausted into a common
condenser. The condenser coolant is water recirculated in a closed circuit
co the evaporative cooling towers. The regenerative feedwater heating cycle
has four low-pressure feedwater heaters, a deaerating feedwater heater,
and two high-pressure feedwater heaters. Part of the steam exhaust
ed from the high-pressure turbine is used in feedwater heating, while tht
rest is returned to the AFB's for reheating to 1000°F. Part of the steam
from the intermediate-pressure turbine exhaust is used for driving the
boiler feed pump. All other pump drives are driven by electric motors.
Electric power required for driving pumps, fans and other auxiliary equip
ment is shown in Figure IV.3-1 by streams 14 through 17. More details of
this system are available in the EGAS report.
2) Results of Thermodynamic Analysis
The enthalpy and availability flow rates for the numbered streams in
Figure IV.3-1 are given in Table IV.3-3. Stream number 1 is the fuel,
Illinois No. 6 coal with a higher heating value of 10788 Btu/lb. The coal
IV-2 7
institute of gas technology
1/80
z
</t
FKKD-WATFR PRFHFATKRS
CONDFNSFRS AND
COOLING TOWFRS
o
GENERATORS
HIGH INTERMEDIATE LOW ELECTRIC

PRESSURE PRESSURE PRESSURE POWER
IV- 28
TURBINES TURBINES* TURBINES
>
</>
m A TMOSPH E RI C - F LU IDIZ ED - B ED FURNACE SYSTEM

STACK
COAL
GAS
n
x ASH
Figure IV.3-1. SIMPLIFIED SCHEMATIC DIAGRAM OF ADVANCED STEAM CYCLE-

° ATMOSPHERIC FLUIDIZED BED
61003
o
1/80 61003
Table IV.3-3. ENTHALPY AND AVAILABILITY FLOW RATES FOR SIGNIFICANT

STREAMS IN FIGURE IV.3-1.
Stream Enthalpy Availability T P

No. MW °F psia Comments
1 2276.0 2322.0 59 15 Illinois No. 6 coal, fuel
2 0 0 59 15 Air
3 858.9 244.0 505 4393 Feed water to AFB
4 2475.8 1145.5 1000 3515 High-pressure steam
5 2003.2 780.0 610 733 Exhaust from high-pressure

turbines
6 2387.2 992.4 1000 659 Intermediate-pressure steam
7 1798.5 613.5 650 175 Exhaust from Intermediate-

pressure turbines
8 1798.5 613.5 650 175 Low-pressure steam
9 187.9 66.4 400 50 Exhaust from low-pressure

turbines
10 1211.1 98.3 106 1 Condensate from low-pressure

turbines
11 353.1 124.7 650 175 Exhaust steam to preheaters
,2 212.9 83.4 610 733 Exhaust steam to preheaters
13 105.0 2.6 106 1 Condensate to preheaters
14 10.5 10.5 — — Auxiliary power to condensers

and cooling towers
15 3.4 3.4 — — Auxiliary power to preheaters

and feed pumps
16 2.9 2.9 — — Auxiliary power to turbines
17 34.2 34.2 — — Auxiliary power to AFB System
18 200.0 50.0 250 147 Stack gas
19 0 0 — — Ash
20 814.3 814.3 — — Net electric power output.
IV-2 9
1/80 61003
contains 3.9% sulfur; 83% of which must be captured to meet the environ
mental emission limit of 1.2 Ib/MM Btu (0.52 kg/GJ) of fuel heat release.
The capture medium employed in this design is limestone. Stream number 2,

air, is obtained from the environment and has negligible enthalpy and
availability associated with it. Streams number 3 through 13 are the
various water and steam streams whose temperatures, pressures, enthalpies
and availabilities are given in Table IV.3-3. Electric power for pumps,
fans and other auxiliary equipment is shown by energy streams 14 through 17.
Stream number 18, stack gas, leaves at 250°F and has a small amount of
enthalpy and availability which is considered as energy loss from the AFB
system. The ash stream 19 is relatively cool and is assumed to have
negligible enthalpy and availability. The high, intermediate and low
pressure turbines contribute 259.7, 235.6 and 399.5 MW, respectively, to the
electric power generation. The net electric power output, excluding the
generator losses and auxiliary power requirements, is 814.3 MW.
The overall availability efficiency, 8, defined as the percentage of

total availability input with coal which is recovered as electricity is:
6 = 2322*0 X 100 = 35'07 %
In comparison the thermal efficiency, n» computed as the percentage of

heating value of coal recovered as electric power is:
n ” afT^To x 100 " 35-78 ?
The two types of efficiency parameters have nearly the same values for the
overall system. However, this is not true for the various types of equipment
used in the system. Thermal and availability efficiencies for these are
given in Table IV.3-4. This table also includes heat losses and availa
bility consumptions expressed as percentage of the total input with coal.
The total heat loss of 64.22% is the complement of the thermal efficiency
of 35.78%; the same relationship holds between the availability consumption
and the availability efficiency.
IV-30
1/80 61003
Table IV.3-4. THERMAL EFFICIENCIES, AVAILABILITY EFFICIENCIES,

HEAT LOSSES AND AVAILABILITY CONSUMPTIONS IN THE
MAJOR PIECES OF EQUIPMENT USED IN THE ADVANCED
STEAM CYCLE - ATMOSPHERIC FLUIDIZED BED
Thermal Availability Heat Availability

Efficiency Efficiency Loss Consumption
ttt
/o
Furnace 94.02 63.25 13.59 53.50
High-Pressure Turbine 99.97 97.97 0.03 1.00
Intermediate-Pressure 99.97 98.05 0.03 0.84
Turbine
Low-Pressure 99.93 91.75 0.06 2.18
Turbine
Generators 96.70 96.70 1.30 1.27
Preheaters 99.61 86.99 0.15 1.57
Condensers and 8.60 2.39 49.06 4.57
Cooling Towers
Overall 35.78 35.07 64.22 64.93
The efficiency values are calculated to be the total useful output

expressed as a percentage of the total input. For example, the availa
bility efficiency of the AFB furnace system is calculated as:
1145.5 + 992. 4
X 100 - 63.25%
2322.0 + 244.0 + 780.0 + 34.2
The 50 MW associated with the stack gas is a loss, not a useful output,
and therefore is not included in the numerator of the above calculation.
The above availability efficiency is different from another parameter -
availability "effectiveness" - which is the availability transferred to
the working fluid (steam) expressed as a percentage of the total input.
The availability "effectiveness" of the AFB furnace system is:
(1145.5 - 244.0) + (992.4 - 780.0)

X 100 = 47.28%
2322.0 + 34.2
IV-31
1/80 61003
It is seen from Table IV.3-4 that differences between the values of

the two efficiency parameters depend strongly on the nature of the equip
ment. The AFB furnace system, for example, has a very high thermal
efficiency but a relatively poor availability efficiency. The reason
for this is that the availability to enthalpy ratio is much higher in
the chemical energy of the coal than in the thermal energy of the steam.
In other words, the energy in the coal is more useful (available) for
doing work than the energy in the steam. The combustion and heat transfer
operations consume availability in the process of transforming the energy
from a state of higher availability to that of lower availability.
The turbines and the generators all have high thermal and availability
efficiencies. The significant difference between the two efficiency
parameters for the low pressure turbine again is due to the decrease in
the availability to enthalpy ratio of steam as it approaches the satura
tion condition. In the high and the intermediate pressure turbines the
steam is at a higher degree of superheat. The enthalpy loss in the feed
preheaters is all due to the auxiliary power input; the availability
efficiency also reflects the availability consumed when the heat is trans
ferred from the various exhaust steam streams to the condensate stream
number 13. The condensers and the cooling towers lose essentially all
the heat and availability to the environment. It is noteworthy, however,
that the heat loss from these units is nearly half of the total heat input
with coal, whereas the availability consumption is less than 5%, since the
streams flowing into the condensers have a high heat content, but this
heat is not very useful for doing work.
The primary objective of a thermodynamic analysis, such as the one

presented above, would be to compare alternatives or to explore avenues
for process improvements. The thermal efficiency and the heat loss data
in Table IV.3-4 suggest that efforts to improve efficiency should focus
on reducing heat loss in the condensers and the cooling towers. The
engineering experience related to steam turbines would indicate that such
an effort would actually result in reduction of the power output. The
pure thermal (First Law) analysis, therefore, can sometimes be misleading
in identifying inefficiencies. The availability analysis, on the other
hand, indicates that the availability consumption in the condensers and
IV-32
1/80 61003
the cooling towers is quite small, even though the availability efficiency
is extremely low. The major consumption of availability occurs in the
furnace; an increase in the availability efficiency of the furnace would
probably be more fruitful in improving the overall performance of this
power generation system. In order to establish the relationship between
the furnace effectiveness and the availability efficiency of the overall
plant, detailed thermodynamic analyses, based on the 1st and 2nd Laws of
thermodynamics, have also been carried out for the following six (6)
systems, selected from the Energy Conversion Alternatives Study (EGAS)—

Phase II.
• Advanced Steam Cycle - Pressurized Fluidized Bed Boiler

• Combined Open Gas-Steam Turbine Cycle with Integrated Low-Btu
Gasifier/General Electric Corporation
• Combined Gas-Steam Turbine Cycle with Integrated Low-Btu
Gasifier/Westinghouse Corporation
• Combined Gas-Steam Turbine Cycle Using Coal Derived
Liquid Fuel
• Potassium Topping/Steam Bottoming Cycle - Pressurized
• Closed Cycle Gas Turbine - Helium/Organic Bottoming -
Atmospheric Fluidized Bed Boiler
A brief description of these systems and the results of thermodynamic

analysis are given below.
3) Advanced Steam Cycle - Pressurized Fluidized Bed Boiler
A simplified schematic for the advanced steam cycle with a pressurized

fluidized bed is shown in Figure IV.3-2. The heat input system features
four PFB modules, each having a vertical stack of six main beds operating
at 1650° F and one carbon burnup cell operating at 2000°F. The combustion
process occurs at 10 atmospheres. The products of combustion leaving the
PFB are filtered in cyclones and granular bed filters before entering
the expansion turbine at 1600°F. The exhaust from the gas turbine is
cooled to approximately 250°F in a gas-to-feedwater heat Exchanger. The
steam cycle is similar to the advanced steam AFB case with 3500 psi/1000°F/
1000°F steam conditions.
IV-3 3

1/80 61003
The overall power plant availability efficiency was found to be 38.4%

and the "combined PFB-System" available energy effectiveness 49.6%.
Cool Dolomite
Steam
Solids Handling
Reheat
Spent Solids
Handling Condenser
| Filters Feed Heaters
Economizers
Stacks
60s Turbines
Figure IV.3-2. SIMPLIFIED SCHEMATIC DIAGRAM FOR ADVANCED

STEAM CYCLE - PRESSURIZED FLUIDIZED BED
4) Combined Open Gas-Steam Turbine Cycle with Integrated

Low-Btu Gasifier/General Electric Corporation
The open cycle gas turbine combined cycle with air-cooling and an
integrated low-Btu gasifier is shown in simplified form in Figure IV.3-3.
The gas turbines operate at a pressure ratio of 12 to 1 and a firing
temperature (at the inlet to the first stage buckets) of 2400°F. Advanced
air-cooling schemes are utilized for turbine cooling and employ extraction
air from the gas turbine compressor. Four gas turbines are utilized in the
power plant concept. The exhaust gas from the turbine, still at temperatures
in excess of 1100°F, enters an HRGS where steam is produced for an 1800 psi/
950oF/950°F steam bottoming cycle. The fuel supply for the cycle is from
an integrated low-Btu gasifier. Compressed air from the gas turbine com
pressor is increased in pressure in a steam-driven booster compressor. The
steam for this compressor drive is obtained by extraction from the steam
turbine. This high-pressure air, process water, and coal are fed to an
IV-34
1/80 61003
advanced fixed bed gasifier. The low steam-to-air ratio which is utilized
in this gasifier design permits the gasifier to produce sufficient steam in
the cooling jacket to permit the gasification process to be independent of
the HRSG or steam bottoming cycle. The H^S in the low-Btu gas is removed
in a low-temperature cleanup system before going to the gas turbine combustor
for firing.
Cool Process
fPi
Jw
Water
Process
Fixed Gas —Process Steam
Water
Bed Cleanup ; Cooling Water
Gasifiers System
Drive
Drive 1 Steam
Steam To
Stock Process
Steam
0
Heot Sy HD- G
Condenser
■ Cooling Recovery
‘Water Steam
Generators Condenser
&
-* Combustor
P 1
——a
Gas Turbines
Figure IV.3-3. SIMPLIFIED SCHEMATIC DIAGRAM OF OPEN CYCLE

GAS TURBINE/STEAM TURBINE CYCLE COMBINED-
AIR COOLED - Low-Btu GASIFIER
The overall power plant availability efficiency was found to be 38.8%

and the "Combined Boiler" effectiveness 45.5%.
5) Combined Gas-Steam Turbine Cycle with Integrated Low-Btu

Gasifier/Westinghouse Corporation
The simplified cycle schematic for this system is shown in Figure IV.3-4.
The 2500°F gas-turbine inlet temperature is defined by Westinghouse to be
the temperature at the inlet to the first-stage vanes. The turbine is a
four-stage design.
IV-3 5
1/80 61003
The blading in both the rotor and stator of all stages is cooled, except
for the last-stage rotor blades. The first stage is transpiration cooled;
the remaining stages are cooled by a combination of impingement-convection
cooling methods. Some of the cooling air is precooled in an air cooler that
evaporates gasifier feedwater.
COAL DOLOMITE
531,360 lb/hr 197,280 lb/hf
AIR C00LIN6 AIR GASIFIER

10.6 X 10* lb/hr COOLER AND BOILER FEEDWATER
HEATER
IV.3-4 Simplified Schematic Diagram of Open-Cycle Gas

Turbine — Low-Btu Gasifier/Westinghouse Corporation
There are four HRSG units, one for each gas turbine. The deaerator-
evaporator raises steam that is used to heat the gasifier feedwater and to
deaerate the incoming feedwater. The intermediate-pressure evaporator
raises steam, part of which is used in the gasifier and the remainder is
further heated in the intermediate-pressure superheater and then mixed
IV-36
1/80 61003
or "inducted" with the main cold reheat steam flow ahead of the reheater.
There is one closed feedwater heater, requiring a steam extraction from the
steam turbine. The temperature of the feedwater to the deaerator-evaporator
is 117°F, and the temperature of the water entering the intermediate-pressure
economizer is 260°F. The exhaust-gas temperature at the exit of the HRSG
is 287°F, which is the resulting stack temperature.
Process air is supplied to the gasifiers by the gas-turbine compressors;

process steam is supplied by the HRSG and the gas-turbine air coolers. After
extraction from the main compressor exits, the process air is first cooled
by air-to-air recuperators and then by process air coolers that reject heat
to cooling towers. This is done to minimize the boost compressor power
requirements. The boost compressors are operated by electric motors and
the resulting power is an auxiliary power requirement of the plant. The air
from the process air coolers then enters the boost compressors and is heated
in the previously mentioned air recuperators. The hot air then enters the
gasifiers.
The low-Btu gasifier vessels passes through three stages of particulate

clean-up consisting of cyclone separators, multiclone separators (which
consist of a number of small cyclone separators), and granular bed filters.
The flow rate of the 15850F low-Btu gas to each combustor is 139.13 Ib/s.
The overall power plant availability efficiency was found to be 45.9%,

and the "Combined Boiler" effectiveness was 52.2%
6) Combined Gas-Steam Turbine Cycle Using Coal

Derived Liquid Fuel/Westinghouse Corporation
A simplified schematic of this system is shown in Figure IV.3-5. All

of the blading for the four-stage turbine design is ceramic with the excep
tion of the last-stage rotor blades, which are uncooled metal. No cooling
air is therefore required for blading. A small amount of cooling-air
extraction from the compressors is required for blockage in each stage.
There are four HRSG units, one for each gas turbine, which recover the
exhaust energy from the gases to raise steam for a single steam turbine.
The HRSG design is essentially the same one used for the Westinghouse
IV-37
1/80 61003
combined cycle with an integrated gasifier. Steam is raised at two different

pressures, the lower pressure steam being "inducted" into the main steam flow
at the cold reheat point.
FUEL
342,432 lb/hr
STEAM 40 X IQ9 lb/hr

FUEL
treatment WATER
AND HEATING
HIGH-PRESSURE LOW PRESSURE
STEAM TURBINE STEAM TURBINE
31 I* F
TO STACK
1000* F
GENERATOR
r HEAT-RECOVERY
STEAM GENERATOR TO COOLING
FUEL, TOWER
DEAERATOR-EVAPORATOR REBOILER CONDENSER

FEEDWATER
HEATER
LOW PRE&SURE
WATER
ECONOMIZER
LOW- PRESSURE STEAM
HIGH-PRESSURE
ECONOMIZER
INTERMEDIATE-PRESSURE
SUPERHEATER
COMBUSTOR
COMPRESSOR HIGH-PRESSURE
EVAPORATOR
HIGH-PRESSURE
GENERATOR TURBINE
BLOCKAGE AIR
tl.l X 10* lb/hr
10.8 X I06 lb/hr
Figure IV.3-5. SIMPLIFIED SCHEMATIC DIAGRAM OF COMBINED GAS-STEAM

TURBINE CYCLE USING COAL DERIVED LIQUID FUEL/WESTINGHOUSE
Steam extraction from the steam turbine is used in a reboiler, which

raises steam in a separate closed loop. This steam is used to heat the
liquid fuel in its storage tanks and to further heat the fuel before it is
injected into the gas-turbine combustors.
Steam is also extracted from the steam turbine for one feedwater heater.
The temperature of the feedwater to the deaerator-evaporator is 172°F, and
the temperature of the water to the intermediate-pressure economizer is
296°F. The exhaust stack gas temperature from the HRSG's is 311°F .
IV-38
1/80 61003
The semiclean fuel is water washed and then passed through electrostatic
precipitators to remove harmful solids and alkali metal compounds. Magnesium
is also added to counter the effects of the vanadium in the fuel. The fuel
is heated to 300°F before injection into the gas turbines. The fuel flow
rate is 342,432 lb/hr and the power plant availability efficiency is 37.8%
overall coal pile to bus bar, and the "Combined Boiler" effectiveness is
42.7%.
7) Potassium Topping/Steam Bottoming Cycle-Pressurized

A simplified schematic for the potassium topping cycle is shown in

Figure IV.3-6. The liquid potassium enters a PFB heat input system. The
potassium is vaporized and exits from the PFB in a saturated state at
1400°F, 15.2 psi. This vapor is expanded through a metal vapor turbine.
The expanded vapor at 1100°F is condensed in a potassium condenser-steam
generator. The steam bottoming cycle operates at conditions of 3500 psi/
1000°F. Since the thermal energy is cascaded from the PFB into the
potassium cycle and into the steam cycle, all heat rejection is from the
steam cycle.
Spent Solids ,Metal Vapor Turbine
Steam
Potassium
Cond.
and 1 Steam
Coal and ♦ Turbine
Steam
Dolomite
Boiler
Processing
Hot Gos
Steam
Condenser
Gas Turbine
Wet Coolinc
i Towers
Hot Gas Economizer
Figure IV.3-6. SIMPLIFIED SCHEMATIC DIAGRAM OF POTASSIUM TOPPING CYCLE
IV-39
1/80 61003
There are four PFB modules to heat the potassium. Each module has six
main bed cells operating at 1750°F and one carbon burnup cell operating at
2000°F. The PFB operates at 10 atmospheres. The products of combustion
after cyclone and granular bed filter cleanup enter the expansion turbine
at 1700°F. The combustion products exiting from the turbine are cooled to
approximately 250°F in a feedwater heater which is integrated with the steam
bottoming cycle. The overall power plant availability efficiency was found
to be 43.5% and the "Combined Boiler Unit" effectiveness was 58.0%.
8) Closed Cycle Gas Turbine - Helium/Organic

Bottoming - Atmospheric Fluidized Bed Boiler
A simplified schematic for the closed gas turbine system is shown in

Figure IV.3-7. Helium is the working fluid for the closed gas turbine
cycle. The helium turbine inlet conditions (at the inlet to the first
stage buckets) are 1000 psi, 1850°F. The helium is expanded through the
turbine and the exhaust flow is recuperated with the high-pressure helium
en route to the AFB. The low-pressure flow, now at a temperature of
approximately 600°F, enters a helium-to-organic-fluid boiler. Energy is
taken out of the helium in this heat exchanger; it then enters a helium
precooler where heat is rejected from the cycle.
Furnace System
I Cool ”---- 1 Closed Cycle Gas Turbine Topping
(He) Cycle Subsystem
Helium Turbine
Helium
Helium Recuperator
Precooler
Helium/
Organic IT ""DrgomclurbinT-GefteroJor
Boiler
Organic Bottoming
Cycle Subsystem
Orgonic
Condenser
Figure IV.3-7. SIMPLIFIED SCHEMATIC DIAGRAM OF CLOSED CYCLE

GAS TURBINE - ORGANIC BOTTOMING
IV-40

1/80 61003
The organic fluid, Fluorinol-85, in the bottoming cycle is expanded

through a turbine. The expanded vapor is condensed, heat is rejected, and
the liquid condensate pumped back to the boiler for revaporization.
Since helium is heated to temperatures in excess of 1850°F in this

cycle configuration, the standard AFB configuration which was previously
discussed is not adequate for this high temperature. The heat input system
selected was a two-stage AFB: the lower stage fluidized bed cell operating
at 2000°F and the upper stage fluidized bed cell operating at 1550°F.
Approximately equal heat input to the helium was achieved from each stage.
Because of its high-temperature operation, it was assumed that no sulfur
capture was achieved in the 2000°F stage. Ceramic tubes were employed in
this cell to contain the 1700° to 1900°F helium working fluid. The com
bustion gas from this stage was ducted along with the combustion air into
the 1550°F bed where sulfur capture to meet the emission standards was
achieved. Since the exhaust combustion gas leaving the 1550°F bed was at
temperatures in excess of 1000°F, a high-temperature air preheater was
employed before the gas entered the electrostatic precipitator for par
ticulate removal. The heat input subsystem consisted of four modules, each
with four cell units, and each unit containing a 2000°F and a 1550°F stage.
The overall power plant availability efficiency was found to be 39.1%,

nd the AFB-furnace effectiveness was 56.8%.
e. Discussion
The efficiencies of the 7 advanced energy conversion cycles are com

pared in Table IV.3-5. The availability efficiencies of the overall plants
are plotted against the respective "boiler unit" effectivenesses in
Figure IV.3-8. It can be seen that with increasing boiler effectiveness
the overall efficiency of the total system increases. Consider System 1
(AFB/Advanced Steam Cycle) and System 7 (AFB/Closed Cycle Gas Turbine -
Helium — Organic Bottoming), both employ AFB furnaces but of different

designs. As the furnace effectiveness increases from 47.3% for System I to
56.8% for System 7, the overall availability efficiencies increases from
35.1% to 39.1%. Similarly, System 2 (PFB/Advanced Steam Cycle) and System 6
(PFB/Potassium/Steam) can be compared, since both employ PFB furnace
IV-41
z 00
©
Table IV. 3-5 SYSTEM EFFICIENCY COMPARISON
- Advanced Energy Conversion Cycles -
c Overall Power Plant

Input (Coal) Net Electric Power Plant "Boiler Unit" Net Heat
Enthalpy Availability Output Efficiency Effectiveness Rate
MW Percent Btu/kWh
1. Advanced Steam Cycle-Atmospheric Fluidlzed-Bed 2,276 2,322 814.3 35.78 35.07 47.3 9,537
Boiler (3500 pslg/1000*F/1000*F)*(l)
2. Advanced Steam Cycle-Pressurized Fluldlzed-Bed 2,307 2,354 903.8 39.15 38.37 49.6 8,710
Boiler (3500 pslg/1000#F/1000*F)*(l)
o
3. Combined Open Gas-Steam Turbine Cycle with Integrated 1,477 1,507 585 39.6 38.82 45.5 8,615
Low Btu Gasifier (air cooled turbine with 2400*F
inlet temperature (2))*
IV-4 2
4. Combined Gas-Steam Turbine Cycle with Integrated Low 1,680 1,714 786 46.8 45.87 52.2 7,293
But Gasifier (air cooled turbine with 2500*F Inlet
temperature (2))*
► 5. Combined Gas-Steam Turbine Cycle Using Coal Derived 2,264 2,310 873.8 38.6 37.84 42.7 8,842
(semi-clean) Liquid Fuel (ceramic blades and vanes;
in
2500*F turbine inlet temperature (2))*
6. Potassium Topping/Steam Cycle-Pressurized Fluldlzed- 2,244.2 2,289.6 995.8 44.4 43.52 58.0 7,690
Bed Boiler (1400°F potassium inlet temperature)*
7. Closed Cycle Gas Turbine, Organic Bottoming- 1.191.9 1,216 475.7 39.9 39.11 56.8 8,550
Atmospherlc Fluldlzed-Bed Boiler (1850*F turbine
inlet temperature)*
m
n * Based on EGAS Phase 2 Systens; General Electric/Bechtel
** Based on EGAS Phase 2 Systens; Westlnghouse/C.T. Main
x (1) R & D Plants and Implementation Assessment not done for Steam Systems, Advanced Furnaces, or Gasifier
(2) At the First-Stage Status Inlet
z
o
O
o
61003
-<
1/80 61003
Availability Efficiency of the Overall Plant
Boiler Unit Effectiveness
Figure IV.3-8. OVERALL-EFFICIENCIES VS. "BOILER UNIT"

EFFECTIVENESS (O OF SEVEN (7) SYSTEM ANALYZED
a
Systems
1. AFB/Advanced Steam Cycle
2. PFB/Advanced Steam Cycle
3. Combined Gas-Steam Turbine Cycle with LBtu-Gasifier (G.E.)
4. Combined Gas-Steam Turbine Cycle with LBtu-Gasifier (Westinghouse)
5. Combined Gas-Steam Turbine Using Coal Derived Liquid Fuel
6. Potassium Topping/Steam Cycle PFB
7. Closed Cycle Gas Turbine - He/F^-SS/AFB
IV-43
61003 1/80
subsystems. Again, an improvement in the boiler effectiveness results in an

increase in the overall availability efficiency. Comparing the systems with
integrated LBtu-gasifiers of G. E. (System 3) and Westinghouse (System 4),
similar results are observed.
IV-44
1/80 61003
IV.4. Attrition
a. Introduction
We have reviewed the literature for attrition in fluidized beds. A

summary of the review loIIows:
Blinchev et al. (1968)^ developed an empirical correlation for
predicting the rate of attrition in fluidized beds. Their correlation

incorporates all the important operating variables. However, they did
not present any model or e&rrelation for estimating the size-distribution
of the attrited material. Moreover, applicability of their empirical
correlation, outside the ranges of their data base might not be satisfactory.
2
Gwyn (1969) presented a simplified empirical correlation for
estimating the rate of attrition in fluidized beds. He also presented a
model for determining the size distribution of the attrited material.
However, Gwyn did not explicitly incorporate the effects of jet-velocity
at the gas distributor, fluidization velocity in the bed, and gas density.
The effects of these variables were implicitly included in his empirical
parameters. Therefore, in order to use his correlation, a number of tests
will have to be conducted with the desired material at several operating
conditions. Because of the empirical nature of his correlation, its
applicability outside the ranges of the data base might also not be
satisfactory.
3
Merrick and Highley (1974) developed a mechanistic model for estimating
the rate of attrition and size distribution of the attrited material in a
fluidized bed. However, in developing the model, they did not explicitly
1. Blinchev, V. N., Strel'tsov, V. V., and Lebedeva, E. S. "An Investigation

of the Size Reduction of Granular Materials During Their Processing in
Fluidized Beds, Int. Chem. Eng. 8 (4), 615, 1968.
2. Gwyn, J. E., "The Particle Size Distribution Function and the Attrition
of Cracking Catalyst',' AIChE J, 15 (1) 35, 1969.
3. Merrick, D. and Highley, J., "Particle Size Reduction and Elutriation

in Fluidized Bed Process," AIChE Symp. Ser., No. 137, 7£, 366, 1974.
IV-4 5
1/80 61003
incorporate the effect of jet velocities at the gas distributors. It is

recognized that gas-distributor design can significantly affect attrition.
Merrick and Highley*s model (1974) also can not explain the high initial
rate of attrition experienced by Gwyn (1969) and IGT's work (1976) on
attrition in fluidized beds.
In IGT's attrition program,'*' a series of tests were conducted in a
2.5 inch diameter column., with Siderite and North Dakota lignite char, to
determine the effects of gas-jet velocity at the distributor, particle
size, size distribution and gas density, on the attrition in the fluid bed.
Changes in weight and size distribution of the bed were determined at
regular intervals. An attrition model has been developed to estimate the
rate of attrition and size distribution of the attrited material. This
9 D
model incorporates the effects of the shape factor ( s), particle size ( Pi),
gas density and gas velocity at the distribution orifice. The model includes
two parameters n and k (defined in equations IV.4-7 or IV.4-11) which are
independent of the operating conditions and are dependent only on the physical
properties of the materials. It also perdicts the observed high initial attrition
rate which is caused by the high initial roughness of the particle surface.
Thus, as attrition progresses, the particle size reduces, the roughnef-’
decreases and the sphericity of the particle increases.
1) Mathematical Model of Attrition
In developing the model, it was assumed that fines are generated only
by particle-to-particle abrasion and that there was no direct breakage of
the particle into several fragments. This assumption is consistent with
that used by Gwyn (1969) as well as by Merrick and Highley (1974). The
1. Institute of Gas Technology, Development of the Steam-Iron System for

Production of Hydrogen for the HYGA.S Process, Final Report.
Chicago, 111., (1973) May 1 - (1976) June 30.
IV-4 6
1/80 61003
rate of fines generation was assumed to be directly proportional to the

energy imparted by the gas jet issued from the orifice and to the surface
roughness of the particle. Mathematically,
**
(IV.4-1)
or Ri = K* > Si (IV.4-2)
where K* is the proportionality constant.
Due to the good mixing in a fluidized bed, every unit mass of solids was
considered to have an equal chance of being exposed to the jet impingement.
The energy received per unit time, (dE/dt), can be expressed as —
.2
Pg Q ^V ^
dE = g ^ VJ
(IV.4-3)
dt 2 W
where 8 is a correction factor and Pg, Q, and Vj are calculated at orifice

tip. The difference in surface area between irregularly shaped and spherical
particles was considered. Surface abration is the main mechanism of size
reduction for attrition in fluidized bed. For a unit mass of solids with
** See Nomenclature on page IV-58.
IV-4 7
1/80 61003
particle size Dp^, the excess surface area, S^, is expressed as:
2
DP
S,
'i = '7r/6 DPi^ pp5 ( <|)s li - TT
0 I__ D
■■ "P. ) (IV.4-4)
Equation IV.4-1 and IV.4-4 can be combined and rewritten as —

rpg
Pa Q
M (evT)2,
vpvt/2 #1
li ~ K f
R. (W Dp ) ] “ 1) (IV.4-5)
...Jpi'
ri s
where - K = —
PP
It is assumed that, as a particle undergoes attrition, its surface

becomes smoother and its shape approaches a sphere. Therefore, the shape
factor, (J)s, changes continuously as attrition progresses. In the tests
conducted at IGT, the rate of size reduction was initially high and
diminished as the time progressed. Based on such experimental observations
throughout the attrition tests, the following expression for <t>g was assumed -
4> - <l> ° DPj , ,

- a - ^>l/n (IV.4-6)
s ro
where 4>s° and Dp^ are the original shape factor, and particle diameter,
respectively. The index, n, is the characteristic of the material and

should not be affected by gas velocity, particle size, and pressure. It
might, however, be a function of temperature. Higher temperatures might
soften the material and change its attrition characteristics.
Equations IV.4-5 and IV.4-6 can be combined to yield —

Pe QOfyJ2 (1 - <l>s0) f1 - <! - DPi/DPo)1/n]
i 1 WDpi J <|>g° + (1 - 4>sO) (1 - Dpi/Dpo)i/n
IV-48
1/80 61003
A mathematical equation for the material balance of a particle of size Dp^

can be expressed as --
wr Wf i-lRi-l WfiRi
d
(IV.4-8)
dt
TT __ 3 77 « (dp/ - Dp^j)
A ^ r\
J PF 6 p
for i = 0, 1, 2,.... m — 1
where —
f^ = weight fraction of particle size. Dp.
Dn = maximum particle size elutriated from the bed, cm.

nn
The rate of elutriation from the bed can be expressed by the following
equation:
m-1
dW wfiRi
- Z
dt (IV.4-9)
i=o
Rearranging Equation IV.4-8 and substituting the expression for dW/dt from
Equation IV.4-9 yields the following first-order differential equation:
m-1
/ Vl RKm-1. Dp
m
Ri DPi fi-l Ri-1 DP,
dt \ ^1 - Dp
m
3
DPi - DPi+l
3
+ E f
i=o A) Dp/l - Dp/
■(IV.4-10)
The m + 1 unknown variables (f ’ fl» f2* f ,, and W) can be

m-1
obtained by solving m + 1 differential equations: m equations from
Equation IV.4-7 plus Equation IV.4-8. The values of R& » 8-2» ., and
Rm ^ in these equations are obtained from Equation IV.4-7, The initial
conditions for solving these equations are: at t = 0; f^ = f2 = ... =
f , = 0 and W = W , where Wq is the initial weight of solids in the bed.
m-1 o’
The above model describes the attrition characteristics of solids of a
size at the gas distribution.
IV-49
1/80 61003
The attrition model was then extended to account for the wide size
distribution of the feed material by modifying the method of accounting
for various particle sizes in the bed. The size distribution of the bed
material was described in terms of several mean particle diameters of Dpo
Dp^, Dp2» ...» Dpm_i» and Dpm. Dp0 is the largest particle size in the
initial bed material, and Dn is the largest particle size elutriated from
the bed. Dpm is not necessarily the smallest particle size in the initial
bed. The basic equations in the model remain the same as those reported
above. However, the following modifications are necessary to extend the
model to describe the attrition characteristics of feed material having a
wide size distribution.
PgQ(6Vj)' (1 - O [1 - (1 - Dp /D0<)1/n]
s 21:
R., = K (IV.4-11)
WD ♦ s° + d - O (1 l/n
Pi
W
for
i j, and i, J = 0, 1, 2, ...» m-2, m-1
Because the particle size is reduced during attrition, Dp^, must be
smaller than DPj• If f^ is defined as the weight fraction of the particles

that has an initial size of Dp. and a current size of Dp , then it can be ex
it q I
pressed as (Wf . ^/-r-Dp .' p ). The expression f is not a constant and changes
lj o 1 p ij
as attrition progresses. The changes in the number of particles currently of
size Dp^ can be mathematically expressed by the following material balance
equations:
Wf, Wfi-l,jRl-l,1 WfiJRij

d
dt tt/6 PpCDP^ - DpjL3) (IV.4-12)
(TT/6)Dpi p tt/6 pp (Dpi'
for i > j and j = 0, 1, 2, ...» m-1
Wf - WfJ.R..
d ii fj 13
dt (TT/6)Pp(DPi3 -DP3+1) (IV.4-13)
(tt/6)Dp p
i P
for j = i and j = 0, 1, 2, ..., m-1
IV-50

1/80 61003
Because the fines generated in the bed are continuously elutriated, the rate
of elutriation can be expressed by the following equation:
m-1 i m-1 Wf ,
dW m-1 (IV.4-14)
-Z Z Wf..R.. -- Z
1
dt , ij ij
T
i'so j-o (tt/6)i
o
-
I
)
Rearranging Equations IV.4-12 and IV.4-13 and substituting the expression
for dW/dt from Equation IV.4-14, give the following differential equations:
Hu
dt
£.,
1J
I
m-1 f
E
3=0
R
“-UJ --1.J
%-! _ Dpm
. .Dp RHDP1
D'>i3-D‘,i+1
+
m-1
l
i=D j=0
i
Z f..R..
iJ ij
\
(IV.4-15)
3
f. , .R. , .Dp.
i-l>3 1-1»3 i
“Pi3-!- Dpi3
for i > j and j =0, 1, 2, ..., m-1
and
f .R , .Dp 3 R..Dp,3
m-1 i
Hu. m-l.i m-l,i m _ ij i
+ Z Z f,.R..
(IV.4-16)
dt i=o j=o ij
for i = j and j =0, 1, 2, ..., m-1
Equations IV.4-14, IV.4-15, and IV.4-16 are solved simultaneously to

obtain all values for W and f• Th® initial conditions for the differential
euqations to be solved are as follows:
at t = 0, W = Wq
f^ = fj°, if i - j and j = 0, 1, 2, , m-1
f±i = 0, if i > j and j = 0, 1, 2, 3, ., m-1
IV-51 \
\
1/80 61003
where Wq Is the Initial bed weight and f^ is the weight fraction of particle
size Dp in the initial size distribution. Special caution should be taken
1 o
in setting the values of Wq and f. . If the initial bed contains particles
of size t)D or smaller, their amount should not be included in calculating
o
the initial bed weight (Wq) and f^ , because those particles will be elutriated
shortly after the start of the test.
2) Evaluation of the Model
Only the initial operating conditions and physical property of the

materials are needed in order to use the attrition model described above.
IGT's tests were conducted with Husky lignite char and Siderite ore, for
which the shape factor was estimated to be 0.66. The best values of the
two parameters 'n' and 'K' in the model calculated from the data are 20.0
and 1.15 X 10 ^ S^cm ^ for Siderite iron ore and 22.2 and 9.95 X 10 ^
S^cm for Husky lignite char, respectively. The third parameter, 6, was
evaluated by a least square fit between the measured and the predicted bed
weights over the entire span of the attrition tests. It was found that the
correction factor 'S' is a function of Reynolds number, as shown in Figure
IV.4-1. 'g' approaches unity at both low and high Reynolds numbers but
deviates from unity in the intermediate region. Figures IV.4-2 and IV.4-3
show comparisons of predicted and measured bed weights during attrition of
Husky char and Siderite ore. Tables IV.4-1 and IV.4-2 show comparisons
between the measured and predicted particle size distribution in the bed,
for Husky char and iron ore, respectively. It can be seen that very
satisfactory results were obtained from the model.
3) Conclusions
The attrition model predicts IGT's data satisfactorily within ±20%.

The good agreement between the calculated and experimental values indicates
that the model can predict attrition data for different materials. Because
the parameters 'n' and 'K' are independent of particle size and
distributions, orifice size, system pressure, bed weight, attrition time,

and as they are only functions of specific test materials, the model has
potential for scale-up and should also be more reliable for extrapolation
than any of the published correlations or models. We will also test the
model on other attrition data and the results will be presented in the next
report.
IV-5 2
1/80 61003
Table IV.4-1. COMPARISON BETWEEN THE MEASURED AND PREDICTED PARTICLE

SIZE DISTRIBUTIONS IN THE BED RESIDUE OF HUSKY CHAR
Run No. AH-16

Attrition
Time, hr 6
Sample Experimental Predicted
Screen Size,
U.S.S., wt X
-12+20 _ _
-20+25 _
-25+30 _ IB M[
-30+35 ^_ mM
-35+40 w M. m
-40+50 —T ,
-504-60 7.6
—60+80 70.7 75.4
-804-100 17.8 21.8
-100+120 2.7 2.5
-120+140 0.5 0.2
-140+170 0.4 0.1
-170+200 0.1
-200+230 0.2
-230+270
-270+325
-325* — —
Total 100.0 100. (
Average Particle
Size,** p 199 197
Average* particle size assumed to be AO.Sli.

**
Surface-to-volume mean particle size D l/E(xi/di).
P
IV-5 3
I N S T I T U T E O F GAS TECHNOLOGY
1/80
z Table IV.4-2. COMPARISON BETWEEN THE MEASURED AND PREDICTED PARTICLE
</> SIZE DISTRIBUTION IN THE BED RESIDUE OF SIDERITE ORE
-i
c
Run No. _______________ AI-27
Attrition 0 ---- IB ZA Z4
Time, hr
Sample Feed Expt 1 Pred Exptl Pred Exptl Pred Exptl Pred
o Screen Size, U.S.S., wt 7.

-n -40+50 12.7 3.4 7.2 2.1 6.1 1.5 4.8 1.8 1.9
-50+60 10.5 8.0 7.9 6.3 7.2 4.5 6.7 4.2 5.9
-60+80 22.8 29.8 25.8 28.9 26.5 25.5 25.3 20.6 24.2
IV-54
-80+100 11.8 15-9 15.8 15.9 15.2 15.8 14.9 14.4 14.5
-100+120 11.0 15.2 18.2 16.2 15.6 16.3 16.1 17.1 16.7
-120+140 10.2 7.5 8.4 8.9 8.1 10.3 9.2 11.0 10.4
>
-140+170 13.8 8.8 9.2 8.9 9.5 10.2 9.8 10.8 10.1
-170+200 7.0 6.7 6.4 7.6 6.6 8.7 6.9 12.7 8.1
-200+230 0.2 5.1 7.1 5.1 5.2 7.0 6.3 7.0 6.2
-230+270 — 0.03 — 0.02 — 0.05 — 0.04 —
-270+325 — 0.02 — 0.01 — 0.03 — 0.06 —
-325* — 0.05 — 0.07 — 0.12 — 0.3 —

Total 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0 100.0
n Average Particle Size, D^, U** 153 143 136 139 135 131 134 124 133
x "k
Average particle size is assumed to be 40.5u.
z
o Surface-to-volume mean particle size Dp = l/E(x./d^).
61003
o
-<
Rev-^lds number, p„ d /y xlO
v o
08/1
0.7 0.8 0.9 1.0 1.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0
in 1.2
1.0
C
0.8
CO.
an
u
o
F a c to r
u
o
0.6
nj
fu
) Siderlte Iron Ore

< i Husky Lignite Char
I
O U1 10 Dash Line 0.4
>
in
0.2
m
0
n
0.7 0.8 0.9 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0
X
Z Reynolds number. Pv d Aj xlO -4

o
Figure IV.4-1. THE CORRELATION FACTOR AS A FUNCTION OF REYNOLDS NUMBER

° FOR JET FLOW AT THE ORIFICE
C00I9
a
1/80 61003
t, hr
2 4 10 12 14 16 18 20 22 24
500 500
400 400
300 300
200 200
100 100
t ,hr
Figure IV.4-2. COMPARISON BETWEEN THE PREDICTED AND MEASURED BED WEIGHTS
DURING THE ATTRITION OF HUSKY LIGNITE CHAR
IV-5 6
1/80 61003
t, hr
0 2 4 6 8 10 12 14 16 18 20 22 24
600
500
400
300
60
200
100
24
Figure IV.4-3. COMPARISON BETWEEN THE PREDICTED AND MEASURED BED WEIGHTS
DURING THE ATTRITION OF SIDERITE IRON ORE
IV-5 7
1/80 61003
Nomenclature
D current particle size, cm

Pi
D initial particle size, cm

Pj
D maximum particle size elutriated from the bed, cm

Pm
d jet orifice diameter, cm

0
Pgq Qv^t/W
E energy transferred by the gas jet per unit weight of the bed,
f. weight fraction of particle size, D
1 Pi
6 correction factor
f. weight fraction of particle size, D
i.
J j
K constant of proportionality (depends on the characteristics of the

material) , cnT^s^
n a parameter that is characteristic of the material, dimensionless

3
Q flow rate of gas through the orifice, cm /s
R. rate of fines generated per unit weight of particle size, D , hr

i
R rate of fines generated per unit weight of a particle with an initial

ij
size of D and a current size of D , hr--*-
Pi
S. surface area of the particle size Dp^, in excess of that for a sphere
i
of the same volume, an indication of the surface roughness
t time, s
V, jet velocity at the orifice, cm/s
w initial weight of bed, g

3
p. particle density, g/cm
3
gas density, g/cm
shape factor
<j)s° = initial shape factor for the solids
y = viscosity of gas, centipoise
IV-58
1/80 61003
B. Work Forecast
Comparison and evaluation on pressure drop correlations with experimental
results on standpipe operation In pack-bed regime will be performed next
quarter.
Runs 88-128 from the Solvent Refined Coal pilot plant in Wilsonville,
Alabama will be revised. These runs covered four types of coal including
Indiana V coal. The apparent heat transfer coefficients will be calculated
and an attempt to include the heat of vaporization into the calculation
will be done.
IV-59
1/80 61003
V. SUPPORTING PROCESSES
Information on hot gas cleanup and effluent gas stream cleanup processes
for coal conversion systems is being reviewed. More effort will be spent on
this area in the future.
B. Work Forecast
This task will emphasize acid gas scrubbing and hot gas cleanup. The
major processes will be described briefly and a simplified process flow
sheet will also be provided.
V-l
1/80 61003
VI. MISCELLANEOUS PRODUCTS
No work is planned in this area under the present schedule.
VI-1
VII. MATERIALS OF CONSTRUCTION
A contract has been awarded to Dr. C. H. Samans for reviewing, summariz

ing and evaluating the MFC programs for the Data Book. It includes:
• Pilot Plant Corrosion tests
• Aqueous Corrosion: laboratory tests
• High Temperature Corrosion: laboratory tests.
B. Work Forecast
Results of these evaluations will be reported in the future.
VII-1
1/80 61003
VIII. EQUIPMENT SPECIFICATIONS
No work is planned in this area under the present schedule.
VIII-1
1/80 61003
IX. COST DATA AND COSTING PROCEDURES
1. Preparation of Cost Estimates
a. Introduction
This section will discuss the estimation of the cost of coal conversion
plants. It it not intended to be a comprehensive discussion of cost estima
tion. However, in order to present a reasonable discussion of some of the
problems involving cost estimation for coal conversion plants, we should give
some background on some of the basic aspects.
b. Types of Estimates
Cost estimates differ widely in the amount of time and effort required;
authors of published articles differ in the number of types of cost estimates;
12 3
one reference lists seven, another five, and a third three. The following
list of estimate types represents a compromise among the above, with suggested
approximate levels of accu>-scy.
• Order of magnitude, or "horseback," or "ballpark," over 30% accuracy level
• Study: +30% accuracy level

• Preliminary or budget: +20% accuracy level
• Detailed — definitive: +5% to 10% accuracy level.
1. Nichols, W. T., "Plant Cost Estimation," Ind. Eng. Chem. 43 No.10, 2295.
2. Bauman, H. C., "Fundamentals of Cost Engineering in the Chemical Industry,"
Reinhold .Pub. Corp., New York, 1964.
3. Mendel, 0., "Types of Estimates," A.A.C.E. Bulletin 16 No.4, August 1974.
IX-1

1/80 61003
The order of magnitude-type is quick but inaccurate. Such an estimate

is based on the known capital costs of existing plants as adjusted for differ
ent capacities. The detailed-definitive types are sometimes separately indi
cated in the literature, the detailed being the most accurate and time con
suming. In both estimates all equipment item costs are based on manufacturers'
quotations. Costs of construction are based on takeoffs from engineering
drawings for foundations, piping, structures, instruments, installation, and
etc.
c. Making the Cost Estimate
In a coal conversion plant it may be feasible to estimate certain sections

of the plant, such as high-purity oxygen or hydrogen by reforming or partial
oxidation as entire units without seriously affecting the overall accuracy of
the total estimates. This is because these items may be standardized and the
costs for them may be obtained from curves of cost versus capacity as shown in
Figure IX.1-1.
To make a reasonable estimate of coal conversion we should preferably

have a process design to size the equipment items. However, while it is neces
sary for a detailed estimate to have cost quotations of equipment items, this
is not always necessary for a preliminary, or budget-type estimate. For these
estimates, many equipment costs may be obtained from correlations or from up
dating earlier costs by cost indexes.
After obtaining the costs of equipment, a major problem still remains —

that of getting the installed plant cost. Total cost of process equipment is
usually a small part, generally 25% to 40% of the total installed plant costs.
The rest of the cost includes material and labor for installing all of the
purchased equipment items. These must be erected on foundations, supported or
hung from steel structures, piped, insulated, electrified, instrumented, and
painted.
IX-2

1/80 61003
CAPACITY, 10 SCFD 96-98% HYDROGEN
20 30 40 50 60 70 80 90 100 150 200 250
COST, $10
COST, $10®
COST, $10®
ZOO 300 400 500 600 700 800.900 1000 2000 3000
CAPACITY, TON/DAY 99.5% OXYGEN
Figure IX.1-1. COST OF OXYGEN AND HYDROGEN PLANTS

ISBL COSTS - NO UTILITIES OR OFFSITES
IX-3

1/80 61003
In order to avoid the time and expense in estimating all of these details,
the popular " factored estimate" has been widely used, where a detailed estimate
is unnecessary. With this method equipment costs are multiplied by a single

number to arrive at the installed cost. The factor is usually applied to a
single type of equipment, such as vessels, heat exchangers, pumps, compressors,
furnaces, and etc. The number of equipment types and, hence, different factors,
is not large. The total cost of each type is multiplied by the appropriate
factor. These totals may be for the entire plant or for different sections of
the plant. The sum of these products gives the total installed plant cost.
12 3
Examples of such factors are given in the literature. ’ * This method is
suitable for a budget-type estimate. An example of factor-type estimates is
the series of SNG-from-coal process designs and cost estimates made by C.F.
Braun and Company for the Department of Energy and Gas Research Institute
4
(formerly ERDA and A.G.A.).
The most extensive published development of the factor method is the book
by K. M. Guthrie, Process Plant Estimating, Evaluation and Control. A pre
cursor of this book was published in 1969.^ The former develops the installa
tion factor as a module cost in which the factor is made up of material, labor,
and indirect elements.
An earlier publication by Hirsch and Glazier^" is based on statistical
analyses of 42 plant estimates. They give an equation to derive an overall

installation factor for the entire plant. The equation consists of a series
of factors applied against the cost of the basic process equipment (assumed
1. Hirsch, J. E. and Glazier, E. M., "Estimating Plant Investment Costs,"

Chem. Eng. Prog. 56 No.12, 37 (1960) December.
2. Hand, W. E., "From Flow Sheet to Cost Estimate," Pet. Ref. _37^No.9, 331,
(1958) September.
3. Clerk, J., "Multiplying Factors Give Installed Costs of Process Equip
ment," Chem. Eng. 70 No.3, 182 (1963) February 18.
4. Detman, R., "Factored Estimate for Western Coal Commercial Concept

Interim Report." C. K. Braun and Company, prepared fyr U.S. Energy
Research and Development Administration and American Gas Association.
(1976) October.
5. Guthrie, K. M., "Process Plant Estimating Evaluation and Control," Crafts

man Book Co. of America, Solana Beach, CA, 1974.
6. Guthrie, K. M., "Data and Techniques for Preliminary Capital Cost Esti
mating," Chem. Eng. 76 No.6 (1969) March 24.
IX-4

1/80 61003
to be in carbon steel), plus an Incremental cost to allow for alloys plus

field erected items. The individual cost factors (F) are determined from
relationships between costs for specific equipment items and the total cost
of all process equipment.
thus:
I = E [A(l + Fl + Fp + Fm)] + B + C
where:
I = battery-limits investment
E = indirect cost factor representing contractors' overhead and
profit, engineering supervision, and contingencies
A = estimated total cost of all battery-limits equipment on f.o.b.
basis, as carbon steel (excluding B)
F = cost factor for field labor
Ij
F^ = cost factor for piping materials

j
F„ = cost factor for miscellaneous items
B = cost of all equipment estimated on an erected basis (furnaces,

tanks, etc.)
C = incremental cost of alloy materials used for corrosion-resisting
properties.
The •‘ndividual cost factors (F) are determined from relationships between costs
for specific equipment items and the total cost of all process equipment.
In general, the installation factors tend to decrease as the size of

equipment and plant capacity increases, as operating pressure increases, and
as the amount of alloy material increases. In the above equation, the effect
of alloy is handled as an incremental amount. Generally speaking, as equip
ment costs become more expensive due to higher pressure or more alloy, the
average unit equipment cost defined as "Total Cost of Process Equipment"
divided by "Number of Equipment Items," becomes larger. Generally, small
plants will have a higher average unit cost than large plants.
The general effect of the average cost on the installation factor is

shown in Figure IX.1-2 below as a band rather than a single curve.
IX-5

1/80 61003
o
H
U
<
Pm
AVERAGE UNIT COST OF EQUIPMENT
Figure IX.1-2. EFFECT OF AVERAGE UNIT COST ON

INSTALLATION FACTOR
point B represents a small plant operating at low pressure, with all carbon
steel equipment and point A, a large coal conversion or chemical plant at
hxgh pressure with large amounts of expensive alloys. A typical range of
factors represented would be from 1.5 to 5 (see Figure IX.1-3).
It is not the purpose of this discussion to recommend installation

factors for specific equipment or plant types. However, the factor method
is recommended as a reasonable compromise between the expensive and time
consuming detailed or definitive methods, and the inaccurate order of magni
tude type. While it is not recommended for a bid-type estimate, it is
usually a good basis for making economic comparisons of different processes
comparing different stages of a process development, or alternative aspects
of a single process.
IX-6
INSTITUTE 0 F GAS TE CHNOLOGY

1/80 61003
Figure IX.1-3. MULTIPLYING FACTORS FOR OBTAINING INSTALLED COSTS1
Columns ond
Compressors
occumulators
Heat exchangers Fired heaters
Instruments
Material cost ratio Material cost ratio'
* Cost of teuipnitnt mdc with spiciol mattriil

Cost of oeuipmtnt midi with “standard" material
1. Clerk, J., "Multiplying Factors give Installed Costs of Process

Equipment", Chemical Engineering,(1963) February 18.
IX-7

1/80 61003
2. The Use of Cost Indexes
Those working in the field of cost engineering will obtain cost infor
mation from various sources based on different dates. In the current era of
inflation it is essential that cost data separated by even only a few years
be brought to a common time basis. Cost indexes provide a way of doing this.
Such indexes are obviously not 100% accurate in allowing for price changes,
but they save much time and keep one from constantly bothering vendors to
obtain the latest equipment cost. Also, since a plant costs represent more
than just process equipment, an inflation index will account for changes in
total plant cost.
One should remember the limitations of cost indexes - the more general
an index the greater will be the chance of inaccuracy in following cost
changes in a given area. Inaccuracies of indexes doubtless increase as the
time span between known and adjusted costs increase. Some indexes follow
specific equipment and those should be more accurate than generalized
inflation indexes.
An example of a detailed index that is used for single industries is

the Handy-Whitman Cost Index. This is a private publication that provides a
monitoring of four industries: electric power, gas, telephone, and water.
The electric power index is rather specialized, but could be of use in getting
a more accurate estimate of changes in some items in coal conversion plants
such as coal fired boilers, steam turbogenerators, and gas turbogenerators,
among a broad list of other items.
a. Popular Indexes for Process Industries
There are four published indexes that have been used in the process
industries that will be presented in this discussion:
1. Nelson Refinery Inflation Index
2. The Chemical Engineering Cost Index
3. The Marshall and Swift Index
4. The Engineering News Record Construction Index.
IX-8
1/80 61003
1) Nelson Refinery (Inflation) Index
This is published monthly in the Oil and Gas Journal. Table IX.1-1. is
a typical example. This index reflects the inflation in the prices of
materials and in wages of construction labor. It was developed in 1949 by
W. L. Nelson, who is well-known for his many publications on petroleum
refinery engineeringThe base year is 1946. It is composed of a 60% labor
component and 40% material component as shown below:
Component Percent
Iron and Steel 60 20
Building Materials 20 8 weighted %
Miscellaneous Equipment 20 12
100 40
Skilled Labor 65 30
weighted %
Common Labor 35 30
100 60
The labor cost percent is obtained from Engineering News Record. Also
given are individual indexes for pumps and compressors, electrical machinery,
internal combustion engines, instruments, and heat exchangers. Miscellaneous
equipment is a composite of these specific equipment items. The inflation,
or refinery-construction cost index would be applied to an entire plant cost.
This index was conceived as an inflation-type index. It does not take into
account improvements in mechanical or process design, construction techniques,
o'>* plant size. Some allowance for productivity is present in the materials
component, since prices of these items reflect improvements (or losses) in
productivity. The weighted percentages for material items were revised in
1956 and for labor items in 1967.
2) Chemical Engineering Index
This index is published bi-monthly in Chemical Engineering. Table IX.1-2.

is a typical example. This publication also includes the Marshall and Swift
(formerly Marshall and Stevens) equipment cost index. The C. E. index pre
sents numbers for plant cost plus individual indexes for fabricated equipment;
process machinery; pipes, valves, and fittings; process instruments; pumps
and compressors; electrical equipment; and structural supports plus miscel
laneous. This index was developed in the early 1960's and first published
o
in 1963. The base years are 1957-59 = 100; however, values are available
1. Nelson, W. L.,"How the Nelson Refinery Construction Cost Indexes Evolved",
Oil & Gas J., Nov. 29, 1976.
2. Arnold, T. H. and Chilton, C. H., "New Index Shows Pl*mt Cost Trends,"
Chem. Eng. 70, No. 3, (1963) February 18.
INSTITUTE OF IX_9 UAS TECHNOLOGY

Table IX.1-1. NELSON COST INDEXES
Refinery construction (1946 basis)

Explain** m p. n af tka iaaaa at Nat. a, 1171
May toil May
1184 112 1173 1177 t»7* 1178 1»7» 1179
Pumps, compressors, etc......... 165.5 222.5 346.9 575.0 619.5 613.6 622.9 668.6
Elactrical machinery ............. 160.0 189.5 220.2 301.8 323.1 320.0 342.1 345.1
Internal-comb, ancines ........... 150.5 183.4 238.3 376.9 412.7 405.1 4423 446.4
Instruments ........................... 1S4.6 214.8 338.0 484.1 518.7 512.3 538.4 538.4
Neat exchanters .................... 171.7 183.6 313.7 454.0 496.0 475.8 5533 554.0
Misc. equip, average ............. 160.7 198.8 ai.4 438.3 474.1 465.4 507.8 510.5
Materials component ............. 174.6 205.9 292.3 471.3 516.7 511.1 565.1 565.7
Labor component 183.3 258.8 5853 774.1 124.1 807.2 851.1 855.3
Nelson Refinery
11 Index 179.8 237.6 468.0 653.0 701.1 688.8 736.7 739.5
Refinery operating (1956 basis)

IxpIMae* ea p. 88 af the Usee af Jan. 18, 1877
May April May

1854 1882 1873 1877 1878 1878 1879 1879
Fuel cost ............................... 86.5 100.9 186.8 430.5 422.4 418.8 523.4 568.6
Labor cost ............................. 90.9 93.9 102.9 149.6 169.6 170.3 197.7 193.4
Wages ............................... 88.7 123.9 2213 3463 388.6 383.6 439.8 427.7
Productivity ........................ 97.1 131.8 214.9 231.4 229.4 2253 222.5 221.1
Invest, maint, etc................... 92.0 121.7 193.0 263.6 280.7 276.6 292.3t 293.4
Chemical costs ...................... 85.7 96.7 117.3 184.4 191.8 191.1 205.3 209.9
Nelson operating indexes
Refinery ............................. 88.7 103.7 125.7 2283 2433 241.3 269.3t 272.6
Process units* .................... 88.4 103.6 168.0 287.8 297.0 294.5 34431 359.7
*Add separate index(es) for chemicals, if any are used. tRevised. See current
Quarterly Costimating, first issue, months of January, April, July, and October.
These indexes are published in the first issue of each month. They are compiled by
Gerald L Farrar, Journal Contributing Editor.
Charts of the indexes are published each year in a late January issue. Indexes of
selected 4761 items of equipment and materials are also published on the Costimating
page in the first issue of the months of January, April, July, and October.
IX-IO
INSTITUTE O F CAS TECHNOLOGY
Table IX.1-2 CHEMICAL ENGINEERING COST INDEXES
Annual indtx Annual index

1970- 125.7 1970 - 303.3
1971 - 132.2 1971-321.3
1972 - 137.2 1972 - 332.0
1973-144.1 1973 - 344.1
1974 - 165.4 1974 - 398.4
1975- 192.4 1975 - 444.3
1976 - 192.1 1976-472.1
1977 - 204.1 1977 - 505.4
1978 - 218.8 1978 - 545.3
Oct '79 Sapt.'79 Aug. '79 Oct. '78

VL plant cost index prelim rev final final MAS equipment cost index 3rd 0.
1979
2nd Q.
1979
1st Q.
1979
(1957 59- 1001 246.1 243.2 240.7 223.6 (1926- 100) 606.4 S93.3 577.0
Equipment, machinery, supports . 272.7 268.4 266.5 246.0 Process industries, average............. 615.4 601 5 5859
Construction labor.......... 199.5 199 7 195.9 190.8 Cement ....................... 620.6 606.6 591.9
Buildings................. 232 3 231.5 230.0 217.2 Chemical........................ 606.0 592.0 576 5
Engineering A supervision 196.1 1934 190.2 162.6 Cl ay products................... 602.2 567.6 573.7
Glesa.......................... 579.1 565.6 550 1
Fabricated equipment .... . 271.7 266.6 264.2 244.1 Paint ......................... 617.2 602.9 586.7
Process machinery...... . 256 9 254.8 252 3 235.8 rip#- ......................... 568.3 575.0 5603
. 309.8 304.3 302.5 278.1 Petroleum products............... 643.6 630 1 614.1
Pipe, valves A fittings.....
235.8 2334 221.7 Rubber........................ 642.3 627.4 610.6
Process instruments..... 236.6
285 4 Related industries, eiectricel power...... 593.3 579 7 S60 7
Pumps 6 compressors 288.6 284 5 266.6
185.4 Mining, milling................... 625.7 613.4 599.3
Electrical aquipmant..... 188.3 184.2 173.5
Refrigerating 71Q.8 693.6 675.8
Structural supports A misc. . 280.8 275.0 274.5 258.0
Steam power.................... 602.2 588.5 573 7
NOT( Oetsiit end wbcomuonmn (,«i -■» nn*«« 81* one nheo .nChem <C4< (figin-tnng
>rb 10 1961 um 1«3 IS? • is eva-'et.1® No 13? o' i n. -t . v.W
• orm .n the bee* ol eacn iswr i for recapping and upOat.ng, t«r issues o* Ai" ?s
1966 Mav S. 1969 Nnv U 197? a< »• ?8 !9*&ensj Mas 6 1978
CURRENT BUSINESS INDICATORS Latest Previeut__________ Year ago
CPI output ifutex (1967 ■ 100) ....................... Oct. ’79-l88.0tPI Sept. ’79-197.9(9) Oct. '79-182.3
CPI value of output, billion $......................... Sspr. ‘79-494. UP) Aug. ’7^485.9(9) Sept. '78-408.1
CPI operating rata. %................................ Sept '79-96.5 Aug. ’79-97.0 Sept. '78-86.0
Construction cost index 11913 " 100)................... Nov. 8. '79-3130 3 Nov. 1, ’79-3129 6 Nov. 9, ’78-2861 7
New orders, chemical process equipment (1967 * 100)...... Aug. ’79-236 July ’79-220 Aug. '76-205
Producer prices, industrial chemicals (1967 - 100)........ Oct. '79-284.2 Sept. '79-278.9 Oct. '78-228 1
Index of industrial activity (1967 - 100)................. Nov. 3.’79-150.7 Oct. 27, '79-151,0 Nov. 4. '78-147.1
Hourly eerninp index, chemicals 6 allied products <1967 - 100) 3rd Q. ‘79-246.3 2nd Q. '79-241.2 3rd a '79-228 1
Productivity index, chemicals 9 allied products (1967 • 100) .. 3rd a‘7^ 795.5 2nd Q.’7^ 193.7 3rd 0. '78-187.4
italicized numbers in this table reflect new calculation procedures for
data series from the Federal Reserve Board end the Dept, of Commerce
CPIo p*it)noleiK 11 967 - 1 ooi CPIoutputvol lie (Bi lio i$i CPI opsMXit*"flI«its» if •reant)
210 500 . . 100 .
J fin 1 l
200 J
1979 X 1 471M
1<*0 A 78
7 f
If 7! f
180 ^ 440
170 — 19 78 aon r «n
160 aoo
1978
I
ISO 380 40
c I i 9e ’ j. X 4 i i r > 4 i * > ?
A C 3
aE a »i 2 3 E ,I 2 a a
! <> ' 2j
SOURCES CPi output indea, Ptdeiei Reserve Board. McOrew-Hilt Oept. of Economics. Once index, industrial activity. McGraw-Hill Dept, of Economics; eompment cost mdei.
CPi value of output. U.S. Dept ol Commerce. Bur«*u of Census, McGraw-Hill Dept, of Eco compiled quarterly by Marshall and Swift. Los Angelas, for 47 different industries tsee
nomics. CPl operating rate. Federal Reserve Board. McGraw-Hill Dept, of Economics (see Chem. fng.. Nov 1947. pp. 124-6. for method of obtaining MBS numbers and May 6. 1978
Cfcem. fftf.. Apr 10.1967. pp. 197-198 foi details on these lirst three economic indicators), for MAS indexes since 19S6I
construction cost indea, 4yv orders for chemical process equipment, chemical wholesale P ■ preliminary R * revised
IX-11
institute of gas
T E C H N 0 L 0 G Y
1/80 61003
back to 1947. The four major components of the C. E. plant cost Index, with
the percentage weight factor for each are:
Component Percent
Equipment, machinery and supports 61
Erection and installation labor 22
Buildings, materials and labor 7
Engineering and supervision manpower 10
100
The major components are equipment, machinery and supports (61%), which are
composed of the following percentages.
Component Percent
Fabricated equipment 37
Process machinery 14
Pipe, valves, and fittings 20
Process instruments and controls 7
Pumps and compressors 7
Electrical equipment and materials 5
Structural supports, insulation, and paint 10
100
Fabricated equipment includes boilers, furnace, and heaters; columns and

tjwers; heat transfer equipment; vessels, reactors, and tank; evaporators.
These are usually custom built according to the user's design.
Process machinery includes items usually bought off the shelf rather
than custom fabricated, and usually requiring a power source and mechanical
drive equipment.
This index includes a correction of wages and earnings for increased

productivity amounting to 2.5% per year, based on a historical U.S. trend.
This correction is applied in calculating the earnings components since the
base years, 1957-59. Observed earnings are divided by (1.025)n, where n
equals years since base. In recent years productivity has not been increasing
at 2.5%/year and has shown periods of no increase and even decrease, so the
index may have a slight downward bias for recent years. Current productivity
improvement is below this percentage.
A private company, Jacobs Engineering, used a method similar to the

Chem. Eng. Index, but with a lower productivity factor.^- From 1958 to
IX-12
1/80 61003
1973 they observed only a 1% annual improvement, instead of 2.5%.
3) Marshall and Swift Equipment Cost Index
This index was begin in 1932 with 1926 as the base year. It is based
on labor categories and on installed cost of materials plus a few fabricated
units. Heat exchanges and compressors are not included. Although called an
equipment cost index, it does cover complete plants, except buildings, in
eight process industries plus four related industries. This is also published
in Chemical Engineering (see TableIX.1-2).
4) Engineering News Record
The ENR Construction Cost Index was started in 1921. The base year is
1913. It is composed of four items:
• 6 lbs of cement
• 1088 board feet of lumber
• 2500 lbs of steel
• 200 hours of common labor
In 1938 the ENR building cost index was introduced which has the same material
items but substitutes 68.38 hours of skilled labor for the common labor.
There is no process equipment and no correction for labor productivity. As
is obvious, this index is oriented toward basic construction costs and has
no valid application in reflecting costs of process plants. Although we see
reference to this in published articles, it is better suited to civil engi
neering type work and is not recommended for coal conversion
plants.
During the hyper-inflation that occurred in 1973-74, these indexes did not
keep up with the inflation. In such periods one must resort to more infor
mation from vendors and contractors.
The above indexes may be used to update costs for individual equipment
items and for total plants by increasing the cost of an item in proportion
to the index change. The Chemical Engineering Plant Cost and Nelson Inflation
Indexes are widely used for updating plant costs. A conservative approach
is to take an average of these two plus the Marshall-Swift Index.
1. Savay, A. C., "Effects of Inflation and Escalation on Plant Costs,"

Chem. Eng. 82 No. 13, 70 (1975) July 7.
IX-13
1/80 61003
b. Effect of Productivity on Cost Index
From January 1966 through December 1975, W. L. Nelson published a true

cost index in the Oil and Gas Journal. This index was developed to show the
changes in the cost per barrel of new refinery construction. It was based
on dividing the inflation index by a productivity index. The productivity
index accounted for improvements due to process design, construction tech
niques, skillful management, the economics of larger capacities, and better
labor performance (if any). This index was mainly applicable to refineries.
It was abandoned after 1975 because so few refineries were built in the U. S.
that costs could not be established.
During the period 1966 through 1975 the index (1946-100) rose from 103
to 152, or 48%, while the inflation index rose from 265 to 595, or 225%.
Where there is improvement in the unit cost of a given type of plant, due
to the productivity factors given above, such cost indexes may be very useful.
Nelson^- stated in 1968 that the cost of refineries (per bbl) rose only 3.6%
from 1946 while the composite effect of inflation of labor and materials
increased by 2.8 times. Examples of other actual, or true cost, indexes
covering the period from 1946 to 1964 are given below:
---------- 1946 to 1966 ----------
Productivity Actual Cost Index
Increase (1946=100)
i /erage U.S. Refineries 2.653 102.9

Large Catalytic Crackers 6.3 45
Alkylation Plants 2.3 119
Bubbleplate Fractionators 1.36 200
Tubestill Heaters 2.97 91.8
Synthetic Ammonia Plants 13.12 20.8
During the decade of the 1960's, when inflation was low, improvements
in productivity exerted a strong effect. In the 1970's, inflation rates
were very high and productivity improvements small. The application of such
low cost or productivity indexes to coal conversion plant costs is an unknown
area. Currently, we have to stay with inflation indexes in estimating the
costs of coal conversion plants.
1. Nelson, W. L., "Cost Indexes Without Productivity Mean Little," paper

presented at Amer. Assoc, of Cost Engineers, 12th National Meeting.
Houston, Texas, June 17-19, 1968.
IX-14
1/80 61003
c. Comparison of Cost Indexes
Figure IX.1-4. compares the several cost indexes on a relative basis.

Since we are interested in more recent times, a common starting value of 100
in 1960 has been taken for each. Each index is a unique composite of a number
of factors. Since it is a form of averaging, no one will be the same. How
ever, since each is a composite of many inputs, in îxed proportions, it
represents a type of averaging which cannot exactly represent a single plant.
Initially, the Chemical Engineering Index showed a lower rate of inflation

than the Nelson Index. However, since 1973 the rates of increase in the two
indexes have been similar.
B. Work Forecast
Future work will include a discussion of methods of calculating product

prices by utility and private investor. Examples will be given for each
method. The sensitivity of product prices to variations in coal cost,
investment and financial factors will be shown .
IX-15
1/80 61003
I960 1962 1964 1966 1968 1970 1972 1974 1976 1978 I960 1982 1984
a Nelson
m\ Inflation
1960 - 100
I960 - 100
Engineering
Marshall;
News Record
: Swift +
Chemical
Engineering
Plant Cost
1970
Figure IX.1-4 COMPARISON OF COST INDEXES ON A COMMON BASIS
IX-16
INSTITUTE OF GAS T E CHNOLOGY

1/80 61003
X. PROCESS FLOW SHEETS
No work was done in this quarter.
B. Work Forecast
No future work is planned under the present schedule.
X-l
1/80 61003
DATA BOOK CONSULTANTS
SPECIAL CONSULTANT
J. Agarwal Charles River Associates

B. Almaula Department of Energy
D. Archer Westinghouse Electric Corp.
R. Broeker/S. Newman Foster Wheeler Energy Corp.
R. Corey Mitre-Metrek
G. Curran Conoco Coal Development Co.
L. H. Dierdorff COGAS Development Company
H. Feldmann Battelle Columbus Laboratories
G. Gannon AVC0
B. Gilbert Bechtel Incorporated
W. Haynes DOE, Pittsburgh Energy
Technology Center
S. Kasper Dravo Corporation
F. U. Leonard Fluor Engineers & Const., Inc.
R. M. Lundberg Commonwealth Edison/EPRI
J. E. Hesko Pope, Evans & Robbins, Inc.

J. B. O'Hara The Ralph M. Parsons Company
B Schmid Gulf Mineral Resources Co.
M. Green Chem Systems Incorporated

G. Skaperdas Pullman-Kellogg
H.S. Vierk Procon Incorporated
J. J. Williams Stone & Webster Engineering Corp
CONSULTANT
W. E. Lobo
frU.S. GOVERNMENT PRINTING OFFICE: 1980-740-145/651 DL-1

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FE-2286-60

Distribution Category UC-90

Project 61003 Quarterly Report

For the Period November 1, 1979, Through January 31, 1980

Date Published — August 1980

Prepared for the

UNITED STATES DEPARTMENT OF ENERGY

This report was prepared as an account of work sponsored by an

Portions of this document may be illegible in electronic image

Any comments about the material presented in this report or suggestions

INSTITUTE 0 F GAS TECHNOLOGY

Comparison results of evaluations on the SURFIMP program (developed by

Physical and thermodynamic properties of Furan and Tetrahydrofuran are

Results from the literature on the carbon-carbon dioxide reaction rates

and from subatmospheric pressure to 36 atmospheres, respectively.

Preliminary, simulation results of moving bed gasification are

INSTITUTE 0 F GAS TECHNOLOGY

Atmospheric fluidized bed boiler, pressurized fluidized bed boiler,

An attrition mathematical model which is used for predicting the changes

An introductory discussion on the cost estimates for coal conversion

and the use of cost indices.

OBJECTIVE AND SCOPE OF WORK xvii

3) Density (C^ Compounds) 1-17

INSTITUTE O F GAS TECHNOLOGY

TABLE OF CONTENTS, Continued

1.3. Pure Component Properties - English Units 1-57

2) Properties at 77°F 1-59

II. SOLIDS STORAGE, HANDLING, PREPARATION AND PRETREATMENT II-l

III. CONVERSION FUNDAMENTALS III-l

INSTITUTE 0 F GAS TECHNOLOGY

TABLE OF CONTENTS, Continued

IV. DESIGN PROCEDURES IV-1

INSTITUTE 0 F GAS TECHNOLOGY

TABLE OF CONTENTS, Continued

IV.4. Attrition IV-45

B. Work Forecast IX-15

TABLE OF CONTENTS, Continued

DATA BOOK CONSULTANTS DL-1

INSTITUTE 0 F GAS TECHNOLOGY

Figure No. Page

1 Project Plan (November 1, 1979 - October 31, 1980) xirv

1.3- 5 Enthalpy of Vaporization of Furan and Tetrahydrofuran 1-76

INSTITUTE 0 F GAS TECHNOLOGY

LIST OF FIGURES, Continued

Figure No. < Page

IV.3-1 Simplified Schematic Diagram of Advanced Steam IV-28

INSTITUTE OF GAS T ECHNOLOGY

Table No. Page

1 Program Plan for the Data Book (November 1, 1979 xxiii

1.2-2 Properties at 25°C 1-15

1.2-3 Density — C^ Compounds 1-18

1.2-6 Enthalpy of Vaporization — C^ Compounds 1-25

1.2-7 Viscosity of Liquids — C^ Compounds 1-27

1.2-8 Surface Tension — C^ Compounds 1-29

1.2-9 Dielectric Constant — C^ Compounds 1-31

1.2-10 Thermodynamic Properties of Condensed Phases — Furan 1-33

INST itute of gas technol O G Y

LIST OF TABLES, Continued

A paper titled, "Correlation of Vapor-Liquid Equilibria of Aqueous Con