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Mtbe PDF
Abstract
This casebook demonstrates the use of PRO/II in the simulation of the synthesis
of methyl tert-butyl ether (MTBE). MTBE is of current interest as an octane enhancer
for reformulated gasolines, and is becoming increasingly important as stricter air
pollution control measures are implemented. A PRO/II simulation model of an MTBE
plant is presented here. The process plant includes a reactor and an azeotropic
distillation column for separation of the MTBE product. A reactive distillation section
is added to the MTBE azeotropic column in order to increase the overall conversion
to MTBE. This is followed by the methanol recovery section which includes a
liquid-liquid extractor. SimScisSM SRKM bank provides a good simulation of the
VLE fractionators and the VLLE extractor. All product specifications are achieved.
The thermodynamics successfully predicts the azeotropic removal of methanol from
the MTBE product stream.
Feature Highlights
Petrochemicals Application
Stoichiometric Reactor Units
Multi-tray Reactive Distillation Column
Complex Reaction Kinetic Models
Liquid-liquid Extraction Column Using VLLE Thermodynamics
Column Condenser Modeled as an Attached, Rigorous Heat Exchanger
Column Tray Rating
Recycle Acceleration Techniques
Casebook #4, Rev 1. Methyl Tertiary Butyl Ether (MTBE) Plant, March 1995
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Introduction
What is MTBE?
Methyl tertiary butyl ether (MTBE) is an octane enhancing agent for unleaded motor gasoline.
Suitable feedstocks for the manufacture of MTBE are mixed butylenes from liquid feed ethylene
crackers and from fluid catalytic crackers. In some plants, raffinates from butadiene extraction
or catalytic butane dehydrogenation are used as feed. MTBE synthesis also offers a method of
selectively removing isobutylene from mixed C4 streams. This enables the recovery of high purity
1-butene and 2-butene which are superior sulfuric acid alkylation feedstocks.
Property Advantage
RVP of 8-10 psi Low vapor pressure results in reduced
Low boiling point emissions
RON+MON/2 octane number of ~ 109 More complete combustion without
reducing engine power
Increases front-end octane number (FON) Reduces knocking during acceleration
of gasoline
Also, the addition of MTBE to gasolines generally implies a reduced aromatic and butane content.
The current and future demand for MTBE and other oxygenates for reformulated gasoline stems
from environmental legislation and restrictions on air pollutant levels. Most US refiners have
elected to use MTBE (and other esters) rather than ethanol (and other alcohols) as their main
oxygenate for reformulated gasoline. Future US demand for MTBE is expected to grow at a rate
of over 10% per year for the next 5 years. Recent environmental legislation in the Far East
(especially Japan and Korea) has resulted in an increased demand for MTBE in those markets.
In Europe, lead-based gasolines are being phased out, resulting in increasing use of MTBE and
other octane-enhancing agents.
1
Catalyst
A common catalyst for the MTBE synthesis process is the Amberlyst 15 polymeric catalyst
developed by Rohm and Haas. Approximate properties of the commercial form of this catalyst,
along with suggested operating conditions are provided below. For exact catalyst properties,
please contact the manufacturer.
Properties
Physical Form Spherical beads
Ionic Form Hydrogen
Acid Site Concentration 1.8 meq/ml (4.9 meq/g)
Moisture Content 53 %
Apparent Density 770 g/l
Particle Size 0.35-1.2 mm
Shrinkage: Wet to methanol 4%
Wet to MTBE 12%
Porosity 0.30 cc/g
Average Pore Diameter 250 A
Surface Area 45 m2/g
Bulk Density 48 lb/ft3
Operating Conditions
Maximum Temperature 120 C
Minimum Bed Depth 0.61 m
Flowrate, LHSV 1-5 hr-1
2
Process Outline
There are numerous variations on MTBE plant designs. In general, an MTBE plant is comprised
of the following sections:
Reactor section
MTBE recovery section2
Methanol recovery section
The complete process flow diagram for the MTBE reactive distillation plant model used in this
simulation is given in Figure 1. The full PRO/II input file for the Ethermax process is given in
Appendix A.
Figure 1: MTBE Plant Flowsheet
2 For the Ethermax process, the MTBE recovery section includes a second reaction zone in the distillation column.
3
Process Description
Reactor Section
MTBE is manufactured by catalytically reacting isobutylene and methanol in a fixed-bed reactor
at a moderate temperature and pressure. The reaction is exothermic and reversible, and is
carried out in the liquid phase over a fixed bed of ion-exchange resin-type catalyst. It is highly
selective since methanol reacts preferentially with the tertiary olefin.
In this MTBE process, an isobutylene-rich mixed C4 stream is mixed with fresh methanol and a
small amount of recycle methanol and fed to the reactor section. The reactors are cooled to
prolong catalyst life and to minimize the undesirable side reactions such as dimerization of
isobutylene. Temperatures below 94 C (200 F) are recommended.
The methanol-to-isobutylene ratio in the reactor feed is kept low to minimize the costs of
recovering unreacted methanol, and to facilitate the operation of the MTBE column (discussed
later). Generally, this ratio is maintained close to the stoichiometic (molar) value of unity. Table
3 contains the reactor feed composition used in this model.
4
An isobutylene conversion to MTBE of 90 to 93% is easily achieved in the reactor. Overall
isobutylene conversions higher than those obtained in the standard process can be achieved by
either recycling a portion of the MTBE column overhead product, or by providing a second reactor
unit and MTBE column downstream of the first MTBE column. The cost-effectiveness of these
options vary from plant to plant, but both require greater capital expenditure. In the reactive
distillation process, no major increase in capital expenditure is required and overall isobutylene
conversions of over 99% are easily obtained.
Any water in the reactor feed (from recycle methanol) is instantly converted to t-butanol (TBA).
Another impurity, di-isobutylene (DIB), is formed by the dimerization of isobutylene. While the
formation of di-isobutylene and t-butanol should be minimized, their presence in small concen-
trations in the MTBE product is acceptable since these byproducts also have very high octane
numbers.
Table 4 shows the three main reactions used in the stoichiometric reactor model. The base
component and the fraction converted are also shown.
5
Process Simulation
The full input for the process simulated here may be found in Appendix A. Fragments of the input
are shown here to illustrate points of interest.
Symbols Used
The symbol
n
is used beside the highlighted fragments of the keyword input file. The number n refers to the
chapter in the PRO/II Keyword Input Manual where detailed explanations of the input data may
be found. The PRO/II Keyword Input Manual may be obtained from SimSci.
General Data
SI units are used. The total calculation sequence is specified. The calculator CAL0 is processed
before the MTBE column in order to set the reaction factor equal to 1.0 on the first pass through
the flowsheet. The MBAL keyword on the PRINT statement specifies that an overall mass
balance be reported in the final output.
5 DIMENSION SI, TEMP=C
Keyword PRINT INPUT = ALL, STREAM = COMPONENT, MBAL
Syntax SEQUENCE HX-1 , RX-1, HX-2A, CAL0 , T-1 , CONVERSION , &
HX-2B , P-1 , HX-3 , &
T-2 , HX4A , V-1 , D-1 , P-2 , T-3 , &
CAL1 , P-4 , HX4B , HX-5 , P-3 , RC-1
Component Data
All the components in the simulation are in the PRO/II databank.
Thermodynamic Data
The VLE fractionators are simulated well with SimScis modified Soave-Redlich-Kwong (SRKM)
equation of state method. For this method, PRO/II contains extensive, built-in databanks that
encompass binary interaction parameter data for the majority of component pairs present in this
simulation. In this casebook, however, binary interaction data (kijs) are directly supplied for 8
component pairs to improve the accuracy of the separations in the columns and to demonstrate
the input syntax.
Transport property calculations are selected by specifying the TRANSPORT keyword in order
to use the rigorous heat exchanger model in the MeOH recovery section. The liquid extraction
unit is simulated using the SRKM method for VLLE thermodynamics with binary interaction data
again supplied as part of the input. Note that the L1KEY component (i.e., the predominant
component in the L1 liquid phase) is specified as component 1, n-butane. The L2KEY component
is specified to be component 10, water. Explicitly specifying the key components eliminates the
need for PRO/II to find an appropriate immiscible pair, and reduces computation time. Note also
that each thermodynamic set is given a unique set id number. All the azeotropes are properly
predicted.
23.3 METHOD SYSTEM=SRKM, TRANSPORT=PURE, SET=S1
Keyword KVAL
Syntax SRKM 1, 9, 0.046973, 0.126027,0,0,0,0,1,1
SRKM 3, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 4, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 5, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 6, 8, 0.135525,-0.032271,0,0,0,0,1,1
SRKM 8, 9,-0.073971,-0.055222,0,0,0,0,1,1
SRKM 9,10,-0.145000,-0.253000,0,0,0,0,1,1
SRKM 7,11, 0.05785, -0.0093,-10.144,6.17,0,0,1,1
6
METHOD SYSTEM(VLLE)=SRKM, L1KEY=1, L2KEY=10, SET=S2
KVAL
SRKM 1, 9, 0.046973, 0.126027,0,0,0,0,1,1
SRKM 3, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 4, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 5, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 6, 8, 0.135525,-0.032271,0,0,0,0,1,1
SRKM 8, 9,-0.073971,-0.055222,0,0,0,0,1,1
SRKM 9,10,-0.145000,-0.253000,0,0,0,0,1,1
SRKM 7,11, 0.05785, -0.0093,-10.144,6.17,0,0,1,1
Stream Data
Feed Streams
The mixed C4 feed stream, and the methanol feed stream are specified in the normal manner,
using the compositions and stream conditions given in Table 3.
Recycle Stream
The composition of the recycle methanol-water stream from the MeOH recovery section is
estimated initially for the first run through the flowsheet (see Table 3).
31 $ RECYCLE STREAM ---- INITIAL GUESS
Keyword PROP STRM=20, TEMP=44, PRES=1724, COMP=8,4.0/10,0.3
Syntax
Other Streams
The amount of wash water in stream 10 (the feed to column T-2) is provided. The temperature
and pressure of the cooling water stream (CW) for the condenser for column T-3 is provided,
along with an estimate of the flowrate. An estimated value is given for the flowrate of the make-up
water stream, MKUP.
31 PROP STRM=10, TEMP=38, PRES=793, COMP=10,375
Keyword PROP STRM=CW, TEMP=21, PRES=690, COMP=10,100, RATE(V)=75
Syntax PROP STRM=MKUP, TEMP=38, PRES=350, COMP=10,500
Unit Operations
MTBE Reaction
The MTBE reaction section of the plant is shown in Figure 2 below.
Figure 2: MTBE Reaction Section
7
With reference to the previous figure, mixed C4s (stream 2) are combined with fresh methanol
(stream 1) and recycle methanol (stream 20) and pre-heated in a heat exchanger (HX-1) to 43.5
C. The heated feed (stream 3) is then sent to a conversion reactor (RX-1) which is maintained
at 55 C by circulating a coolant. The three reactions defined in Table 4 take place in this reactor
at the specified conversion levels. A pressure drop of 69 KPa through the reactor is also specified.
The stoichiometries of the major and minor reactions in the MTBE process are provided In the
RXDATA Category of input:
48 $ Reaction Data for Reactors
Keyword $
Syntax
RXSET ID=ST1
REACTION ID=1
STOIC 6,-2 / 11,1 $ IBTE + IBTE = DIB
REACTION ID=2
STOIC 10,-1 / 6,-1 / 9,1 $ H2O + IBTE = TBA
REACTION ID=3
STOIC 6,-1 / 8,-1 / 7,1 $ IBTE + MEOH = MTBE
The unit is modeled as a conversion reactor in the Unit Operations Category of input:
92 CONREACTOR UID=RX-1, NAME=REACTORS
Keyword FEED 3
Syntax PROD L=4
OPER TEMP=55, DP=69
RXCALC MODEL=STOIC
RXSTOIC RXSET=ST1
REACTION 1
BASE COMP=6
CONV 0.0025
REACTION 2
BASE COMP=10
CONV 1.00
REACTION 3
BASE COMP=8
CONV 0.93
8
The reactor product (stream 4) exchanges heat with the MTBE column bottoms product in
exchanger HX-2. Normally, this would create a thermal calculation loop. However, since the
temperature of stream 5 is known, this process is modeled by two separate heat exchangers,
HX-2A and HX-2B as shown in Figure 3. Stream 4 from the reactors is heated to 72 C in HX-2A
to produce stream 5. The product of column T-1, stream 7, is cooled in exchanger HX2-B to
produce the MTBE product stream 8. The duty of exchanger HX-2A is defined to be equal to the
duty in HX-2A. This approach avoids an unnecessary calculation loop since the temperature of
stream 5 is fixed at 72 C.
The heated stream 5 is fed to tray 15 of the 30 tray MTBE column (T-1). The MTBE column is
simulated with the CHEMDIST algorithm using the SIMPLE initial estimate generator (IEG). A
top pressure of 621 KPa and a column pressure drop of 76.5 KPa are given. The condenser is
operated at a fixed temperature (TFIX) of 43.5 C and pressure of 621 KPa. The control
specifications are a bottoms flowrate of 278 kgmoles/h and a reflux ratio of 1.1. The condenser
and reboiler duties are varied to achieve these specifications.
The next step is to provide all the information required for specifying the reaction trays in the
distillation column.
9
MTBE Kinetic Model
The algorithm used for the reactive distillation column model is a Newtonian-based algorithm.
Therefore, in order to accurately model the MTBE reaction in the distillation column, we need to
determine not only the reaction rate of the reaction, but also the temperature and composition
derivatives of the rate. These derivatives may be generated by one of two methods:
1. Numerically, by an estimation method
or
2. Analytically, by an expression based on the reaction rate equation.
The PRO/II program can automatically generate numerical estimates of the reaction rate
derivatives. In many cases, this is sufficient. However, for certain types of reactions, the more
accurate analytical derivatives provide better solutions. These are:
Reversible reactions
or
Exothermic reactions
or
Reactions where the equilibrium is sensitive to temperature
The MTBE reaction satisfies all three criteria. The reaction rate expression and its analytical
derivatives can be easily and readily entered by the user in the Procedure Data category of input.
The MTBE reaction rate expression used in this simulation model is based on the rate expression
described in a paper by Al-Jarallah et al3. In this casebook, we will detail how to enter the reaction
rate and the associated analytical derivatives for the MTBE reaction.
First, in the Reaction Data category of input, the stoichiometry of the forward reaction is given
(IBTE + MEOH = MTBE) and the base component is defined to be MEOH. The kinetic data will
be provided later on in the Procedure Data category of input using FORTRAN-like language as
the procedure named ALJD.
75 RXSET ID=ALJX
Keyword REACTION ID=ALJ0
Syntax STOICH 6, -1/8, -1/7, 1
BASE COMP=8
KINETIC PROCEDURE=ALJD, POSITION=1
The reaction rate equation described by Al-Jarallah takes into account the forward and the
reverse reaction. We have modified Al-Jarallahs rate equation for this casebook to simulate the
effect of catalyst loading on the reaction rate. This was achieved by removing the catalyst terms
from the concentration terms. The modified reaction rate is given by:
1.5
CC (1)
CAC0.5 B
Keq
rs = ksKa 1.5
(1 +KACA +KBCb))
where:
ks = surface reaction rate constant = 1.2x1013exp(- 87900/RT) in (gmole/g catalyst)1.5/hr (1a)
KA = equilibrium adsorption constant = 5.1x10-13exp(97500/RT) in g catalyst/gmole (1b)
KC = equilibrium adsorption constant = 1.6x10-16exp(119000/RT) in g catalyst/gmole (1c)
Keq = equilibrium constant
CA = IBTE concentration in mole/l
CB = MEOH concentration in mole/l
CC = MTBE concentration in mole/l
3 Al-Jarallah, A.M., M.A.B. Siddiqui, and A.K.K. Lee, 1988, Kinetics of Methyl Tertiary Butyl Ether Synthesis Catalyzed by Ion Exchange
10
Kinetic Data
In the Procedure Data category of input, the PROCEDURE type of RXKINETIC is selected to
denote that the procedure will be used in the Reactive Distillation column model. In addition,
process data, and real and integer variables are defined:
47 PROCEDURE DATA
Keyword
Syntax PROCEDURE(RXKINE) ID=ALJD,NAME=Al-Jarallah
PDATA GCAT , RXFACT
REAL KS , KA , KC , KALJ , KREH1 , KREH2 , KIZQ , KEQREF
INTEGER IBTE , MEOH , MTBE
Next, the indices for the components are set, a value is given for the gas constant in J/gm-mole
K, and the basis for the temperature values in the procedure is set to an absolute basis. In
addition, the temperature and composition rate derivatives are initially set equal to zero.
CODE
$
$ INITIALIZE DATA:
$ SET INDEXES FOR COMPONENTS
$ DEFINE GAS CONSTANT IN Joules/gm-mole K
$ Note: R could have been retrieved in input units by R=RGAS.
$ However, since the reaction basis wont change, and
$ RGAS will change with the default units, this
$ eliminates one possible source of error.
$ Initialize the local variable TK to the absolute temperature.
$ Note: The temperature basis for the flowsheet must be Centigrade
$ or Kelvin.
$ Set temperature and composition derivatives to zero.
$
IBTE = 6
MTBE = 7
MEOH = 8
R = 8.314
TK = RTABS
DO 1000 I1 = 1,NOR
DRDT(I1) = 0.0
DO 1000 I2 = 1,NOC
1000 DRDX(I2,I1) = 0.0
The surface reaction rate constant, ks, and the equilibrium adsorption constants, KA, and KB,
are calculated using the expressions given previously as (1a), (1b), and (1c).
KS = 1.2E+13*EXP(-87900.0/(R*TK))
KA = 5.1E-13*EXP( 97500.0/(R*TK))
KC = 1.6E-16*EXP(119000.0/(R*TK))
Next, the derivatives of these constants are computed and are used later on in calculating the
rate derivatives.
$
DKSDT = KS * 87900.0 / R / (TK*TK)
DKADT = KA * (-1.0) * 97500.0 / R / (TK*TK)
DKCDT = KC * (-1.0) * 119000.0 / R / (TK*TK)
Then the bulk concentration of components A, B, and C per gram of catalyst (RHOA, RHOB,
and RHOC) are determined from the liquid mole fractions of the components (XLIQ), the density
of the liquid, and the catalyst loading (GCAT) in g/l. Note that the liquid density, DENS, obtained
directly from PRO/II using the predefined variables, RLMRAT and RLVRAT, is in the user-speci-
fied units of kg-moles/m3 (SI units). Our basis for calculations is gm-moles/l and the conversion
factor between these kg-moles/m3 and gm-moles/l is 1.0. Also, note that the value of GCAT used
here is 12.4 g/l. This value is used because it is the catalyst loading at which data for the
Al-Jarallah rate equation was collected.
11
GCATX = 12.4
DENS=RLMRAT/RLVRAT
RHOA=(XLIQ(MEOH)*DENS/GCATX)
RHOB=(XLIQ(IBTE)*DENS/GCATX)
RHOC=(XLIQ(MTBE)*DENS/GCATX)
Expressions for the equilibrium constant and its derivative as functions of temperature are
provided based on equilibrium data published by Al-Jarallah et al.
KALJ = EXP(-17.31715+(7196.776/TK))
$
DKALJDT = - KALJ * 7196.776 / (TK*TK)
Then the reaction rate and rate derivatives with respect to temperature and composition are
determined.
$
$ -------- Calculate reaction rate and derivatives by terms
$ -------- Units - RATE - gram-mole / gram catalyst / hr.
$
$ Denominator & derivatives.
$
RDEN = 1.0 + ( KA*RHOA ) + 0.0 + ( KC*RHOC )
DRDDT = RHOA*DKADT + 0.0 + RHOC*DKCDT
DRDDME = KA/GCATX*DENS
DRDDIB = 0.0
DRDDMT = KC/GCATX*DENS
$
$ First factor in rate equation.
FACT1 = KS *KA/RDEN
DFAC1DT = DKSDT*KA/RDEN + KS*DKADT/RDEN - KS*KA/RDEN**2 * DRDDT
$
$ Second factor in rate equation.
FACT2 = RHOA*RHOB**0.5 - RHOC**1.5/KALJ
DFAC2DT = 0.0 + RHOC**1.5/KALJ**2 * DKALJDT
$
$ Combine terms to calculate rate and derivatives.
$
$ ---- Rate equation (rate per one gram of catalysis).
RATE = FACT1 * FACT2
$
$ ---- Rate temperature derivative.
DRDT(1) = DFAC1DT * FACT2 &
+ FACT1 * DFAC2DT
It is important to note, however, that the rate and rate derivatives calculated above are computed
on a basis of 1 gram of catalyst. The reactive distillation algorithm requires that these values
(RRATES, DRDT, and DRDX) be supplied on a unit reaction volume basis. Therefore, the
rate and rate derivatives are multiplied by the grams of catalyst per unit volume, GCAT.
12
$
$ -------- Convert rate equation and derivatives to a straight volume basis
$ -------- by multiplying the base rate by the grams of catalyst/unit volume.
$ -------- The rate is returned in input units, kg-moles/cubic meter/hour.
$
RRATES(1) = GCAT * RXFACT * RATE
$
DRDT(1) = GCAT * RXFACT * DRDT(1)
$
DRDX(MEOH,1) = GCAT * RXFACT * DRDX(MEOH,1)
DRDX(IBTE,1) = GCAT * RXFACT * DRDX(IBTE,1)
DRDX(MTBE,1) = GCAT * RXFACT * DRDX(MTBE,1)
RETURN
Once the column is converged, the top and bottom product compositions are known. Exchanger
(HX-2B) is now simulated for heat exchange between the column feed (see HX-2A) and the
bottom product (stream 7). The duty in this exchanger is set equal to the duty in exchanger
HX-2A. The cooled hot side fluid is the MTBE product (stream 8).
Pump P-1 pumps the liquid distillate (stream 6) at a pressure of 827 KPa to the methanol recovery
section.
81 HX UID=HX-2B, NAME=FEED-BTMS-B
Keyword HOT FEED=7, L=8, DP=34.5
Syntax DEFINE DUTY AS HX=HX-2A DUTY
A calculator (CONVERSION) is set up to compute the conversions of IBTE and MEOH to MTBE
in the reactive distillation column itself.
121 & Calculate RXDIST conversions.
Keyword CALCULATOR UID=CONVERSION, NAME=CONVERSION OF IBTE-MEOH TO MTBE
Syntax RESULT 1 , IN - MEOH / 2 , IN - IBTE / 3 , IN - MTBE / &
4 , OUT - MEOH / 5 , OUT - IBTE / 6 , OUT - MTBE / &
20 , IBTE CONV /21 , MEOH CONV
DEFINE P(1) AS STREAM=4 RATE(M) COMP=8 $ MEOH
DEFINE P(2) AS STREAM=4 RATE(M) COMP=6 $ IBTE
DEFINE P(3) AS STREAM=4 RATE(M) COMP=7 $ MTBE
DEFINE P(4) AS STREAM=6 RATE(M) COMP=8 $ MEOH
DEFINE P(5) AS STREAM=6 RATE(M) COMP=6 $ IBTE
DEFINE P(6) AS STREAM=6 RATE(M) COMP=7 $ MTBE
DEFINE P(7) AS STREAM=7 RATE(M) COMP=8 $ MEOH
DEFINE P(8) AS STREAM=7 RATE(M) COMP=6 $ IBTE
DEFINE P(9) AS STREAM=7 RATE(M) COMP=7 $ MTBE
PROCEDURE
$ ----- LOAD RATES
R( 1) = P( 1)
R( 2) = P( 2)
R( 3) = P( 3)
R( 4) = P( 4) + P( 7)
R( 5) = P( 5) + P( 8)
R( 6) = P( 6) + P( 9)
$ ----- CALCULATE CONVERSION
R(20) = ( R(2) - R(5) ) / R(2)
R(21) = ( R(1) - R(4) ) / R(1)
$ ----- DISPLAY RESULTS
DISPLAY R( 1: 9 )
DISPLAY R( 20:21 )
RETURN
13
Methanol Recovery
The methanol recovery section of the process is shown in Figure 4.
Figure 4: Methanol Recovery Section
The methanol-C4s azeotrope (stream 6P) is delivered by pump P-1 to heat exchanger HX-3
where it is cooled to 38 C against cooling water (CW). The exchanger also calculates the utility
(CW) requirement given a CW delivery temperature of 16 C and a return temperature of 32 C.
The cooled process stream is fed to the bottom of the water wash column (T-2).
81 HX UID=HX-3, NAME=COOLER
Keyword HOT FEED=6P, L=9, DP=34.5
Syntax OPER HTEMP=38
UTIL WATER, TIN=16, TOUT=32
Column T-2 is simulated as a liquid-liquid extractor with 5 theoretical trays. Recirculating wash
water is fed to the top of the column. A top pressure specification of 792 KPa is given. This
column uses the VLLE SRK thermodynamic set (S2) defined previously in the Thermodynamic
Data Category of the input file.
The raffinate leaves the top of the column (stream 11) and contains the unreacted and non-
reactive C4s. The extract phase (stream 12) exits at the bottom. It enters the cold side (HX4A)
of the feed-bottoms heat exchanger where it is warmed to 99 C against the recycle wash water
(stream 21) which in turn is cooled (in unit HX-4B described later on).
81 HX UID=HX4A, NAME=FEED-BTMS
Keyword COLD FEED=12, L=13, DP=34.5
Syntax OPER CTEMP=99
14
Valve V-1 drops the pressure of the heated methanol-water stream (13) to 241 KPa generating
a mixed phase stream (14) which is adiabatically flashed in unit D-1. The vapor phase (stream
15) containing the dissolved hydrocarbons which have been released is vented as a flare gas;
the liquid phase (stream 16) is pumped (P-2) to the methanol column to recover methanol.
53 VALVE UID=V-1, NAME=VALVE
Keyword FEED 13
Syntax PROD M=14
OPER PRES=241
The methanol column (T-3) is simulated with 20 theoretical trays. The feed (stream 17) enters
on tray 10. The column top pressure is 138 KPa; the pressure drop through the column is 34.5
KPa. A TFIX type condenser operating at 30 C and 103.5 KPa is specified. The separation of
methanol from water is readily solved using the I/O algorithm and conventional IEG. The
performance specifications are 99.5% recovery of methanol in the overhead product and 99.95%
recovery of water in the bottoms product. Tray rating calculations are done for this column for
610 mm diameter sieve trays throughout the column.
72 COLUMN UID=T-3, NAME=MEOH COLUMN
Keyword PARA TRAY=20, IO=10
Syntax FEED 17,10
PROD OVHD=19, BTMS=18,182
PSPEC TOP=138, DPCOL=34.5
DUTY 1,1 / 2,20
COND TYPE=TFIX, PRES=103.5, TEMP=30
VARY DUTY=1,2
ESTI MODEL=CONV, RRATIO=10
SPEC STRM=19, COMP= 8, RATE, DIVIDE, &
STRM=17, COMP= 8, RATE, VALUE=0.995
SPEC STRM=18, COMP=10, RATE, DIVIDE, &
STRM=17, COMP=10, RATE, VALUE=0.9995
TRATE SECTION(1)=2,19, SIEVE, DIAMETER=610
A calculator (CAL1) computes the total loss of water as a result of carry over with the C4s (stream
11), the vent gas (stream 15) and by consumption in the reactor. This total quantity is the amount
of make-up water required. The flowrate of the make-up water stream (MKUP) is established
through a procedure call to the PRO/II stream function SRXSTR.
121 CALC UID=CAL1, NAME=MAKEUP
Keyword SEQUENCE STREAM=MKUP
Syntax DEFINE P(1) AS STRM=11, COMP=10, RATE $ H2O IN C4S
DEFINE P(2) AS STRM=15, COMP=10, RATE $ H2O IN FLARE GAS
DEFINE P(3) AS STRM=19, COMP=10, RATE $ H2O TO REACTOR
PROCEDURE
R(1) = P(1) + P(2) + P(3)
CALL SRXSTR(SMR,R(1),MKUP)
RETURN
Pump P-4 pumps the recovered wash water from the methanol column bottoms combined with
make-up water as stream 21 to heat exchanger HX4B. This unit represents the hot side of the exchanger
HX-4 (see HX-4A described previously) and calculates the exit temperature for stream 22.
15
Trim cooler (HX-5) further cools the wash water (stream 22) to the desired temperature of 38 C
before it (stream 10) goes back to the water wash column. At this stage, the first recycle loop
between unit T-2 (water wash column) and HX-5 (trim cooler) is closed.
The second recycle loop between unit HX-1 (feed heater) and P-3 (recycle pump) is closed when
the pump P-3 recycles the overhead (stream 19) from the top of the methanol column (T-3) to
the reactor section.
Then, as an illustrative example, an HXRIG module is used to rigorously rate the methanol
column condenser. This rigorous heat exchanger is modeled as an attached heat exchanger to
column T-3. This unit takes as its input the exchangers mechanical data such as shell and tube
dimensions, tube layout pattern, the baffle cut and shell and tube side nozzle sizes. A fouling
factor of 0.00035 m2-K/kW is used for the condenser cooling water side. The ZONES option is
selected to determine where phase changes occur in the exchanger. An extended data sheet is
printed in the output.
52 PUMP UID=P-4, NAME=WATER PUMP
Keyword FEED 18,MKUP
Syntax PROD L=21
OPER EFFI=65, PRES=862
81 HX UID=HX4B, NAME=FEED-BOTS
Keyword HOT FEED=21, L=22, DP=34.5
Syntax DEFINE DUTY AS HX=HX4A, DUTY
81 HX UID=HX-5, NAME=COOLER
Keyword HOT FEED=22, L=10, DP=34.5
Syntax OPER HTEMP=38
Finally, the beginning and ending units for the two recycle loops are defined, and the Wegstein
recycle acceleration method is chosen to speed up the convergence.
134 RECYCLE DATA
Keyword
Syntax ACCEL TYPE=WEGS
LOOP NO=1, START=T-2, END=HX-5
LOOP NO=2, START=HX-1, END=P-3
16
Technical Results
The overall mole balance for a 200,000 metric tonne per day MTBE plant using the reactive
distillation process is shown in Table 5.
Table 5: Overall Mole Balance for a 200,000 TPY MTBE Plant (Ethermax Process) (kg-mol/hr)
Results Analysis
The results of this simulation shown above indicate that the overall conversion of IBTE is 99.2%
with a selectivity to MTBE of 99.7%. In the reactive distillation column itself, 87.2% of the IBTE
fed to the column is converted to MTBE. The MTBE product is 99.77% pure and needs no further
purification.
There are a number of factors that affect the overall conversion rate of IBTE. Some of these are:
Methanol to IBTE ratio
Number of reaction trays
Type of catalyst used
Note, however, that while the IBTE conversion in the conversion reactors increase as the
MEOH:IBTE ratio is increased, the overall IBTE conversion reaches a maximum, then decreases
as the MEOH:IBTE ratio is increased. This is due to the fact that more MTBE product is carried
upward through the column stripping section into the reaction trays. This promotes the reverse
reaction of MTBE to methanol and IBTE, thus reducing the overall conversion of IBTE.
Output Results
Selected results are attached. These include reactor RX-1, rigorous exchanger RC-1 zones
analysis, MTBE column T-1 (reactive distillation), tray rating results for methanol column T-3,
and stream molar component rates for selected streams.
17
Additional References
1. Hydrocarbon Processing, Vol. 61, No. 9, p.177, Sept. 1982.
2. Bitar, L.S., E. A. Hazbun, and W. J. Piel, MTBE Production and Economics, Hydrocarbon
Processing, Vol. 63, No. 10, pp. 63-68, Oct. 1984.
3. Hutson, T., et al., in Handbook of Chemicals Production Processes, Ed. Robert A. Meyers,
McGraw-Hill Book Company, New York, Chap. 1.12, 1986.
4. Friedlander, R.H., in Handbook of Chemicals Production Processes, Ed. Robert A.
Meyers, McGraw-Hill Book Company, New York, Chap. 1.13, 1986.
5. Jacobs, R., and R. Krishna, 1993, Multiple Solutions in Reactive Distillation of Methyl
tert-Butyl Ether Synthesis, Ind. Chem Res., 32(8).
6. Hydrocarbon Processing, Vol. 69, No. 10, pp.29,31,33,44, Oct. 1990.
7. Oil & Gas J., Mar. 25, 1991, pp.26-29.
8. Shah, V.B., D. Bluck, J. W. Kovach III, R. Parikh, and R. Yu, 1994, The Sensitivity of the
Design and Operability of the MTBE Processs with Respect to Changes in Reaction
Parameters and Process Configurations, paper presented at the Refining LNG and Petro-
chemasia 94 Conference in Singapore, December 7-8 1994.
18
Appendix A
Keyword Input File ---- Reactive Distillation (Ethermax) Process
TITLE PROJECT = MTBECASEBOOK , &
PROBLEM = MTBE PLANT , &
USER = SIMSCI , &
DATE = Mar95
COMP DATA
THERMO DATA
STREAM DATA
19
PROP STRM= 1, TEMP=16, PRES=1620, COMP=8,277.5
PROP STRM= 2, TEMP=16, PRES=1620, COMP=9/41/7/4/6/33, &
RATE=850, NORMALIZE
PROP STRM=10, TEMP=38, PRES=793, COMP=10,375
PROP STRM=20, TEMP=44, PRES=1724, COMP=8,4.0/10,0.3
$
$ INCREASE MTBE COLUMN CONDENSER COOLING WATER FLOWRATE
$
$ PROP STRM=CW, TEMP=21, PRES=690, COMP=10,100, RATE(V)=75
PROP STRM=CW, TEMP=21, PRES=690, COMP=10,100, RATE(V)=175
PROP STRM=MKUP, TEMP=38, PRES=350, COMP=10,500
RXDATA
$
$ Reaction Data for Reactors
$
RXSET ID=ST1
REACTION ID=1
STOIC 6,-2 / 11,1 $ IBTE + IBTE = DIB
REACTION ID=2
STOIC 10,-1 / 6,-1 / 9,1 $ H2O + IBTE = TBA
REACTION ID=3
STOIC 6,-1 / 8,-1 / 7,1 $ IBTE + MEOH = MTBE
$
$ ======================================================================
$ = =
$ = Reaction Data =
$ = =
$ = Column Reaction Data =
$ ======================================================================
$
$
$ ==================================================
$
$ MTBE REACTION SET - Supplemented Al-Jarallah
$
$ Iso-butane+Methanol - MTBE
$
RXSET ID=ALJX
REACTION ID=ALJ0
STOICH 6, -1/8, -1/7, 1
BASE COMP=8
KINETIC PROCEDURE=ALJD, POSITION=1
20
$ ======================================================================
$ = =
$ = PROCEDURE DATA =
$ = =
$ ======================================================================
$
PROCEDURE DATA
$ ======================================================================
$ = =
$ = PROCEDURE DATA for RXKINETIC REACTIONS =
$ = (Column Reaction PROCEDURES) =
$ = =
$ ======================================================================
$
$ ==================================================
$ ==================================================
$ ==================================================
$
$ Al-Jarallah MTBE Column Reaction Kinetics.
$
$ ==================================================
$ ==================================================
$ ==================================================
$
$
$
$ Also modified to remove catalyst based concentration
$ from reaction expression. To revert to paper, set
$ GCATX = GCAT. This will drop the reaction rate to
$ way below what seems realistic based on literature
$ data. As is, it is still low.
$
PROCEDURE(RXKINE) ID=ALJD,NAME=Al-Jarallah
$
$ Reference: Adnan M. Al-Jarallah, Mohammed A. B. Siddiqui, and
$ A. K. K. Lee, Kinetics of Methyl Tertiary Butyl
$ Ether Synthesis Catalyzed by Ion Exchange Resin"
$ Canadian Journal of Chemical Engineering (66)
$ pp. 802-807
$
PDATA GCAT , RXFACT
REAL KS , KA , KC , KALJ , KREH1 , KREH2 , KIZQ , KEQREF
INTEGER IBTE , MEOH , MTBE
CODE
$
$ INITIALIZE DATA:
$ SET INDEXES FOR COMPONENTS
$ DEFINE GAS CONSTANT IN Joules/gm-mole K
$ Note: R could have been retrieved in input units by R=RGAS.
$ However, since the reaction basis wont change, and
$ RGAS will change with the default units, this
$ eliminates one possible source of error..
$ Initialize the local variable TK to the absolute temperature.
$ Note: The temperature basis for the flowshet must be Centigrade
$ or Kelvin.
$ Set temperature and composition derivatives to zero.
$
IBTE = 6
MTBE = 7
MEOH = 8
$
R = 8.314
21
$
TK = RTABS
$
DO 1000 I1 = 1,NOR
DRDT(I1) = 0.0
DO 1000 I2 = 1,NOC
1000 DRDX(I2,I1) = 0.0
$
$ Calculate the surface reaction rate constant, ks, and the
$ equilibrium adsorption constants Ka and Kb. The activation
$ energy is in J/gm-mole.
$ units: ks - (gm-mole / gm catalyst)**1.5 /hour
$ Ka - gm-catalyst / mole
$ Kc - gm-catalyst / mole
$
KS = 1.2E+13*EXP(-87900.0/(R*TK))
KA = 5.1E-13*EXP( 97500.0/(R*TK))
KC = 1.6E-16*EXP(119000.0/(R*TK))
$
DKSDT = KS * 87900.0 / R / (TK*TK)
DKADT = KA * (-1.0) * 97500.0 / R / (TK*TK)
DKCDT = KC * (-1.0) * 119000.0 / R / (TK*TK)
$
$ -------- Calculate the equilibrium constant.
$
$ Units - (gm-moles/gm-catalyst)/hour
$ Phase - Liquid Phase Reaction
$ Catalyst - Ion Exchange Resin Amberlyst 15,
$ the equilibrium should be independant of the catalyst
$
$
$ ---- METHOD 1.0: Adnan M. Al-Jarallah, Mohammed A. B. Siddiqui, and
$ A. K. K. Lee, Kinetics of Methyl Tertiary Butyl
$ Ether Synthesis Catalyzed by Ion Exchange Resin"
$ Canadian Journal of Chemical Engineering (66)
$ pp. 802-807
$
KALJ = EXP(-17.31715+(7196.776/TK))
$
DKALJDT = - KALJ * 7196.776 / (TK*TK)
$
$ Bulk concenrations of components per gram of catalyst, XLCONC is
$ in moles/flow volume. XLCONC will be passed to the procedure
$ in user input units. Internally to PRO/II, it is in SI units
$ (kg-mole/cubic meter). The basis for these reaction equations
$ is gm-moles/liter. The conversion factor from input units of
$ kg-moles/cubic meter to the reaction basis of gm-moles/liter
$ is one. Therefore, XLCONC can be used with no conversion.
$
$
$ RHOA=(XLCONC(MEOH)/GCAT) |-This should be equivalent to below.
$ RHOB=(XLCONC(IBTE)/GCAT) | It has been written explicitly below
$ RHOC=(XLCONC(MTBE)/GCAT) | to make it obvious how to do the
$ analytical derivatives.
$
$ Calculate density in moles / volume
$
GCATX = 12.4
DENS=RLMRAT/RLVRAT
RHOA=(XLIQ(MEOH)*DENS/GCATX)
RHOB=(XLIQ(IBTE)*DENS/GCATX)
RHOC=(XLIQ(MTBE)*DENS/GCATX)
22
$
$ -------- Calculate reaction rate and derivatives by terms
$ -------- Units - RATE - gram-mole / gram catalyst / hr.
$
$ Denominator & derivatives.
$
RDEN = 1.0 + ( KA*RHOA ) + 0.0 + ( KC*RHOC )
DRDDT = RHOA*DKADT + 0.0 + RHOC*DKCDT
DRDDME = KA/GCATX*DENS
DRDDIB = 0.0
DRDDMT = KC/GCATX*DENS
$
$ First factor in rate equation.
FACT1 = KS *KA/RDEN
DFAC1DT = DKSDT*KA/RDEN + KS*DKADT/RDEN - KS*KA/RDEN**2 * DRDDT
$
$ Second factor in rate equation.
FACT2 = RHOA*RHOB**0.5 - RHOC**1.5/KALJ
DFAC2DT = 0.0 + RHOC**1.5/KALJ**2 * DKALJDT
$
$ Combine terms to calculate rate and derivatives.
$
$ ---- Rate equation (rate per one gram of catalysis).
RATE = FACT1 * FACT2
$
$ ---- Rate temperature derivative.
DRDT(1) = DFAC1DT * FACT2 &
+ FACT1 * DFAC2DT
RETURN
UNIT OPS
23
REACTION 1
BASE COMP=6
CONV 0.0025
REACTION 2
BASE COMP=10
CONV 1.00
REACTION 3
BASE COMP=8
CONV 0.93
$
$ Provide storage location (RESULT(1))
$ Note: RXFACT is not varied in this casebook,
$ but is set equal to 1.0 always
$
CALCULATOR UID=CAL0, NAME=COPY RXFACT
PROCEDURE
IF (R(2) .NE. 1.0) R(1) = 1.0 $Set RXFACT TO 1 on first call.
R(2) = 1.0
RETURN
HX UID=HX-2A, NAME=FEED-BTMS-A
COLD FEED=4, L=5, DP=34.5
OPER CTEMP=72
$
$ Reactive Distillation.
COLUMN UID=T-1, NAME=MTBE COLUMN
PARA TRAY=30, CHEM=35
FEED 5, 15
PROD OVHD=6, BTMS=7,280
RXTRAY ALJX, 8 , 13
LVOL(M3) 8 , 5.0 / 13, 5.0
DEFINE GCAT AS 360.0
DEFINE RXFACT AS 1.0
TSIZE VALVE FF=80.0 DPCALC=0.0
$
$ Calculate RXDIST conversions.
CALCULATOR UID=CONVERSION, NAME=CONVERSION OF IBTE-MEOH TO MTBE
RESULT 1 , IN - MEOH / 2 , IN - IBTE / 3 , IN - MTBE / &
4 , OUT - MEOH / 5 , OUT - IBTE / 6 , OUT - MTBE / &
20 , IBTE CONV /21 , MEOH CONV
DEFINE P(1) AS STREAM=4 RATE(M) COMP=8 $ MEOH
DEFINE P(2) AS STREAM=4 RATE(M) COMP=6 $ IBTE
DEFINE P(3) AS STREAM=4 RATE(M) COMP=7 $ MTBE
DEFINE P(4) AS STREAM=6 RATE(M) COMP=8 $ MEOH
DEFINE P(5) AS STREAM=6 RATE(M) COMP=6 $ IBTE
DEFINE P(6) AS STREAM=6 RATE(M) COMP=7 $ MTBE
DEFINE P(7) AS STREAM=7 RATE(M) COMP=8 $ MEOH
DEFINE P(8) AS STREAM=7 RATE(M) COMP=6 $ IBTE
DEFINE P(9) AS STREAM=7 RATE(M) COMP=7 $ MTBE
24
PROCEDURE
$ ----- LOAD RATES
R( 1) = P( 1)
R( 2) = P( 2)
R( 3) = P( 3)
R( 4) = P( 4) + P( 7)
R( 5) = P( 5) + P( 8)
R( 6) = P( 6) + P( 9)
$ ----- CALCULATE CONVERSION
R(20) = ( R(2) - R(5) ) / R(2)
R(21) = ( R(1) - R(4) ) / R(1)
$ ----- DISPLAY RESULTS
DISPLAY R( 1: 9 )
DISPLAY R( 20:21 )
RETURN
HX UID=HX-2B, NAME=FEED-BTMS-B
HOT FEED=7, L=8, DP=34.5
DEFINE DUTY AS HX=HX-2A DUTY
HX UID=HX-3, NAME=COOLER
HOT FEED=6P, L=9, DP=34.5
OPER HTEMP=38
UTIL WATER, TIN=16, TOUT=32
HX UID=HX4A, NAME=FEED-BTMS
COLD FEED=12, L=13, DP=34.5
OPER CTEMP=99
25
COND TYPE=TFIX, PRES=103.5, TEMP=30
VARY DUTY=1,2
ESTI MODEL=CONV, RRATIO=10
SPEC STRM=19, COMP= 8, RATE, DIVIDE, &
STRM=17, COMP= 8, RATE, VALUE=0.995
SPEC STRM=18, COMP=10, RATE, DIVIDE, &
STRM=17, COMP=10, RATE, VALUE=0.9995
TRATE SECTION(1)=2,19, SIEVE, DIAMETER=610
HX UID=HX4B, NAME=FEED-BOTS
HOT FEED=21, L=22, DP=34.5
DEFINE DUTY AS HX=HX4A, DUTY
HX UID=HX-5, NAME=COOLER
HOT FEED=22, L=10, DP=34.5
OPER HTEMP=38
RECYCLE DATA
ACCEL TYPE=WEGS
LOOP NO=1, START=T-2, END=HX-5
LOOP NO=2, START=HX-1, END=P-3
26
APPENDIX B
Output File ---- Reactive Distillation (Ethermax) Process
The following are selected exerpts from the PRO/II output report. The complete output is
available from SimSci on floppy disk.
SIMULATION SCIENCES INC. R PAGE P-50
PROJECT MTBECASEBOOK PRO/II
VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
CONVERSION REACTOR SUMMARY Mar95
==============================================================================
OPERATING CONDITIONS
INLET OUTLET
--------------------- ---------------------
FEED 3
LIQUID PRODUCT 4
TEMPERATURE, C 43.50 55.00
PRESSURE, KPA 1585.5000 1516.5000
REACTION DATA
KG-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------------------------ --------------------- --------------------- ------------------------
6 IBTE 1 .7013 2.50000E-03
10 H2O 2 .1871 1.0000
8 MEOH 3 261.9277 .9300
27
SIMULATION SCIENCES INC. R PAGE P-51
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
CONVERSION REACTOR SUMMARY Mar95
==============================================================================
28
SIMULATION SCIENCES INC. R PAGE P-14
PROJECT MTBECASEBOOK PRO/IIVERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
29
SIMULATION SCIENCES INC. R
PAGE P-15
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
30
SIMULATION SCIENCES INC. R
PAGE P-16
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
31
SIMULATION SCIENCES INC. R
PAGE P-17
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
TOTAL DUTY = (WT. U-VALUE) (TOTAL AREA) (WT. LMTD) (OVL. FT)
ZONE DUTY = (ZONE U-VALUE) (ZONE AREA) (ZONE LMTD) (OVL. FT)
32
SIMULATION SCIENCES INC. R
PAGE P-19
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
CHEM METHOD 38
COLUMN SUMMARY
33
SIMULATION SCIENCES INC. R
PAGE P-20
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
SPECIFICATIONS
REFLUX RATIOS
34
SIMULATION SCIENCES INC. R PAGE P-36
PROJECT MTBECASEBOOK PRO/II
VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
35
SIMULATION SCIENCES INC. R PAGE P-37
PROJECT MTBECASEBOOK PRO/II
VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
36
SIMULATION SCIENCES INC. R PAGE P-38
PROJECT MTBECASEBOOK PRO/II
VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
37
SIMULATION SCIENCES INC. R PAGE P-39
PROJECT MTBECASEBOOK PRO/II
VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
38
SIMULATION SCIENCES INC. R
PAGE P-48
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF DROP GPM/LWI BACKUP, PCT
CFS HOTGPM CFS MM KPA GPM/IN TRAY SPACING
-------- --------- ------------ --------- ------------ -------- ------------ ---------------- ------------------------
2 21.45 18.73 .968 610.0 81.0 .847 1.5 30.18
3 21.08 17.00 .915 610.0 76.7 .793 1.4 28.51
4 20.66 13.57 .813 610.0 68.7 .705 1.2 25.54
5 20.38 9.72 .688 610.0 59.2 .627 .9 22.46
6 20.38 8.44 .644 610.0 55.9 .611 .8 21.51
7 20.25 8.24 .634 610.0 55.1 .607 .8 21.33
8 20.04 8.22 .630 610.0 54.7 .604 .8 21.27
9 19.81 8.22 .627 610.0 54.3 .601 .8 21.22
10 21.18 42.11 .670 610.0 71.1 .795 2.6 27.45
11 21.06 42.06 .666 610.0 70.7 .791 2.6 27.37
12 20.92 42.04 .663 610.0 70.4 .788 2.6 27.31
13 20.78 42.04 .661 610.0 70.1 .785 2.6 27.26
14 20.62 42.05 .659 610.0 69.8 .782 2.6 27.21
15 20.47 42.07 .657 610.0 69.5 .780 2.6 27.17
16 20.31 42.10 .655 610.0 69.2 .778 2.6 27.14
17 20.15 42.13 .653 610.0 68.9 .776 2.6 27.11
18 20.00 42.17 .652 610.0 68.7 .774 2.6 27.08
19 19.85 42.20 .650 610.0 68.4 .772 2.6 27.05
39
SIMULATION SCIENCES INC. RPAGE P-49
PROJECT MTBECASEBOOK VERSION 4.02 PRO/II 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
40
SIMULATION SCIENCES INC. R PAGE P-52
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 2 3 4 5
NAME OLEFINS
PHASE LIQUID LIQUID LIQUID LIQUID
41
SIMULATION SCIENCES INC. R PAGE P-53
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 2 3 4 5
NAME OLEFINS
PHASE LIQUID LIQUID LIQUID LIQUID
STREAM ID 6 6P 7 8
NAME T-1 OVHD MTBE
PHASE LIQUID LIQUID LIQUID LIQUID
42
SIMULATION SCIENCES INC. R PAGE P-54
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 9 10 11 12
NAME C4S
PHASE LIQUID LIQUID LIQUID LIQUID
STREAM ID 13 14 15 16
NAME FLARE GAS
PHASE LIQUID MIXED VAPOR LIQUID
43
SIMULATION SCIENCES INC. R PAGE P-55
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 13 14 15 16
NAME FLARE GAS
PHASE LIQUID MIXED VAPOR LIQUID
STREAM ID 17 18 19 20
NAME MEOH RECYC
PHASE LIQUID LIQUID LIQUID LIQUID
44
SIMULATION SCIENCES INC. R PAGE P-56
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 21 22
NAME
PHASE LIQUID LIQUID
45