ChemicalProcessDesign

Subject6.MaterialandHeatBalances

JavierR.ViguriFuente
CHEMICALENGINEERINGANDINORGANIC
CHEMISTRYDEPARTMENT
UNIVERSITYOFCANTABRIA
javier.viguri@unican.es
License:
CreaLveCommonsBYNCSA3.0

INDEX
1.- Analysis of the inputs effect on the outputs.
2.- Methodology for process analysis: Material and energy balances.
3.- Basic Ideas to develop LINEAR MASS BALANCES (LMB) models.
4.- Develop of LMBs.
5.- Case Study: Application of LMB algorithm and setting pressure and
temperature levels in flowsheet.
6.- Heat Balances.
7.- Further Reading and References.

1.- Analysis of the inputs effect on the outputs

Two categories of relationships

1.- Relationships independent of the equipment
Independent of the equipment specifications
BM / BE / Equilibrium / Kinetic
2.- Relationships dependent of the equipment
Design equations with equipment specifications:
- Heat transference equation (with Area value)
- Frictional pressure relationships (with D, Le)
3

2.- Methodology for process analysis: Material and energy

balances.

Analysis methodology to apply on the synthesized

flowsheets
- Simples
- Fast
- Useful to the preliminary design

Mass balances
Energy balances

Systematic modeling with

different degree of rigorousness

2.- Methodology for process analysis: Material and energy

balances.

Once we synthesize flowsheet, we must do mass and energy

balances to analyze its PERFORMANCE and to SIZE equipment
for economic evaluation
2.1.- Equation Oriented
Write al equations that describe the process and solve them
simultaneously.
Equations: Material balances
Equilibrium relations
Kinetic expressions
Enthalpy balances, etc.
Need solve 100s equations with Newtons
Software: gPROMS, GAMS, EXCEL, ASPEN equations

2.2.- Sequential Modular

Solve for input streams in each unit at the flowsheet

following the information flow. For each module, compute
outlet from given inlet.
6

6
1

COMP

3
MX

RXN

FLASH
5

1.Calc. COMP
2
2.Guess stream 6
3.Calc. MIX
3
4.Cal. RXN
4
5.Cal. FLASH
5, 6
6.If stream 6 is similar 6 STOP, otherwise return to step 2
More robust, but less flexible
Software: ASPENPLUS, PRO-II, HYSYS, UniSIM

3.- Linear Mass Balances (LMB) models

Basic Ideas to develop LMB
Fix levels at P, T in flowsheet to derive
linear approximations at mass balances in each unit.
1.- Fix P and T levels in flowsheet. Specify recoveries, split fractions key
components, conversion per pass, recycle ratios (Degrees Freedom-d.f.)
2.- Approximate each unit with (fracciones divididas) (Split Fractions)
(e.g. , in flash unit; , in absorber) to relate linearly output molar flow
with inputs
3.- Set up linear equations and solve for molar flows at each component
4.- Recalculate P, T in flowsheet with equilibrium equations
* If there are not big changes go to the step 5.
* If there are big changes go to step 2.
* If process does not meet specifications (e.g. equil. of DEE), change the
values of the d.f. or modify flowsheet structure returning to step 2.

5.- Perform heat balances (heating + cooling utilities). Perform Heat

integration at this stage. Idea
Decouple mass and heat balances

LMB algorithm
P , T specify
Specify split
fractions of the key
components
Determine coefficients
for linear models in
each unit: k/n, , ,

Specifications and/or
restrictions

Fenske, Kremser, Antoine

equations

= ( )
out

in

Global mass
balance
P and T
SIZING

Equilibrium equations
(Bubble point, dew point)

T, P restrictions

COSTS
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3.- Linear Mass Balances (LMB) models

ASSUMPTIONS
- L and V streams with ideal equilibrium relationships
- Saturated streams
- Linear equations simple to solve
tearing
- Convergence in few interactions (2)
- Use basis at 100 gmol/s feed and calculate scale up factor to meet
required production
Approximations for following modules
1) Mixer
Not real or physically equipments. Could be junctions.
2) Splitter
3) Reactor
4) Flash
Linear in terms of split fractions
5) Distillation
6) Absorption and Stripper
Associated (MEA Process)
There are many other equipments as Adsorption, pervaporation, fermenters, etc.
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4.- Develop of (LMB) models

 Simplifications and approximations  Shortcut methods  smaller problem
 MAIN CHARACTERISTICS:
- Ideal solutions. Saturated streams. Ideal thermodynamic behaviour
- Process units calculations  Linear equations
Linear coefficients
k
Mixer
= ik , j

ik , j
1

Mixer

k
i 2, j 2

k
k
Splitter
=

,j
j in
k
in

Splitter

------

k
S1

NS1

Split fraction

k
Spitter
j )ink
,NS=(1

Sk 2

j=1

Conversion

NR

Reactor

k
IN

Rk

Fk 1

Flash

INk

k
Re actor

= + r ,k r
k
in

r =1

Stoichiometric
coefficients

Fk 1 = k in

Fk 2 = (1 k )in
Fk 2

l (r )
in

Split fractions
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4.- Develop of LMB models

=
k

1
N = ln
/ ln

1
+
(

1
)

Lk

Hk

in

Lk / Hk

Lk

Distillation

Hk

Nm

k / Hk

= (1 )
k

Nm

k / Hk

bub , c

v =
v +
l

L0

V1

N +1

N +1

dew , R

N +1

N +1

1 (A )
=
1 ( A )

N +1

ABS

Absorption

bub , R

l + (r A ) v
N = ln
/ ln(A )

l A (1 r )v
0

dew , c

Hk

in

Hk

VN

LN

l = v +l v
k

N +1

1 ( A )
=
1 (A )
k

k
N 1

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5.- CASE STUDY: Application of LMB algoritm and setting

pressure and temperature levels in flowsheet
OBTENTION OF ETHANOL
Establish levels of P, T in PFD
Specify recoveries, splits key components. Fixed the recycle rate (specify d.g).
Determine coefficients linear models
Calculate k/n, k, AE, , etc. Based on Antoine equation.
Set-up linear equations and solve for flowrates of each component. Solving
equations of PFD by sequential approach
Calculate P, T through flowsheet
If the guesses different step 1 return to step 2
If process does not meet specifications either change recoveries (e.g. the
recycle rate is too low) or modify flowsheet (e.g. need a 2nd flash unit to obtain
the NH3 purity need)
Heat Balances (Heating steam- and Cooling water- utilities)
Memo 2 is to calculate a mass and energy balance for a specified process flowsheet
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6.- Heat Balances

ENTLAPHIES: H (P,T ,zk) [J/gmol]
- Reference state is necessary for the calculations.
Ideal Gas, P0=1atm, T0=298 K
- Assume elemental species
- Assume ideal behaviour
reflect effects of P and mixing (specially
in the liquid phase)
GAS MIXTURES

Cpk as function of T by heat

capacity coefficients Ak,Bk,Ck, Dk

Constants for each k

H v (T , y ) = yk (H f k + C p0k dT )
0

by Watson correlation in function

of Tb, Tc, and Hvap(Tb)

LIQUID MIXTURES
T

H L (T , x) = xk [ H 0 f k + C p0k dT H vk (T )
k

Handbook
values
(Perry,2008;
Poling et al.,
2000)

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7.- Further Reading and References

Biegler, L., Grossmann, I., Westerberg , A., 1997, Systematic Methods of Chemical
Process Design, Prentice Hall.
Green, D., Perry, R., 2008, Perry's Chemical Engineers' Handbook. 8th edition.
McGraw-Hill.
Kent, 1992, Riegels Handbook of Industrial Chemistry.
Lide, D., Ed., 1997, CRC Handbook of Chemistry and Physics. CRC Press.
McKetta, J., Ed. 1993, Chemical Processing Handbook. Marcel Dekker.
Poling, B., Prausnitz, J., O'connell, J., 2000, The properties of gases and liquids. 5th
edition. McGraw-Hill.
Treybal, R., 1980, Mass Transfer Operations. 2nd Ed. McGraw Hill.
Woods, D., 1995, Data for Process Design and Engineering Practice. Prentice-Hall.

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