04 Plant Design and Economics Process Optimization R02

Plant Design and Economics
Saeed Eini
Department of Chemical and Petroleum Engineering
Sharif University of Technology
1401 ‫پاییز‬
http://che.sharif.edu/~ProSET
Saeed Eini
Dep. of Chem. and Petrol. Eng.
Sharif Uni. of Technology
Process optimization
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• Optimization will almost always be required at some stage in a process design.
• Once the basic performance of the design has been evaluated, changes can be made to improve
the performance; the process is optimized
Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

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Performance indicator ????

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Process Model
(1) Performance indicator: Objective

Function
Optimization Algorithm/Solver
(2) Design/Decision Variables
(3) Restrictions/Limitations/Constraints
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• It is usually not necessary for a designer to construct an optimization algorithm in order to carry
out an optimization, as general-purpose software is usually available for this
• However, it is necessary for the designer to have some understanding of how optimization works
in order to avoid the pitfalls that can occur
• Optimization problems in process design are usually concerned with maximizing or minimizing an
objective function (Performance Indicator)
• The objective function is a measure of the quality of the solution and might typically cause
economic potential to be maximized or cost to be minimized.

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• Consider a process with two streams (cold and hot) having the opportunity of heat integration
mC,CP,C
TC,in TC,out
cold stream

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mC,CP,C
TC,in TC,out
cold stream
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mC,CP,C
TC,in TC,out
cold stream
mH,CP,H
TH,in TH,out
Hot stream

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mC,CP,C
TC,in TC,out
cold stream
mH,CP,H
TH,in TH,out
Hot stream
cold stream
Hot stream

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mC,CP,C
TC,in TC,out
cold stream
mH,CP,H
TH,in TH,out
Hot stream
cold stream
Hot stream

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mC,CP,C
TC,in TC,out
cold stream
mH,CP,H
TH,in TH,out
Hot stream
cold stream
Hot stream

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mC,CP,C
TC,in TC,out
cold stream
mH,CP,H
TH,in TH,out
Hot stream
cold stream
Hot stream

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(1)
(2)
(3) 19 equality equations
(4)
(5)
(6)
(7) to
(19)

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(1)
(2)
(4) 20 variables
(5)
(6)
(7) to
(19)

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(1)
(2)
(4) 20 variables
(5)
Degree of freedom = 1
The system is underspecified and
(6) cannot be solved
(7) to
(19)

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This degree of freedom is optimized

Design variable
Objective function = Annualized capital cost + Energy cost

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Design variable
Design variable One more additional degree of freedom
Two-dimensional optimization (two-variable)
An additional opportunity for optimization

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Objective function (OF) = Annualized capital cost

+ Energy cost
Design variable : QREQ

OF = f(QREQ)

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How to find the optimal point?

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𝑑𝑓
=0
𝑑𝑥

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• The equations and objective function are continuous
• The variables are continuous
• The function has only one extreme point (unimodal)
• The problem is nonlinear

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• The structure of an optimization problem

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• Objective function; a measure of goodness

• Economical, environmental, safety, control, operational, …
• Multi-objective optimization

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A set of NV variables (continuous, integer, binary)
Decision variables, a subset of variables x
Lower and upper bounds on some or all of the variables

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• Equality constraints
• The modeling equations associated with processing equipment

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• Inequality constraints
• Usually the operational constraints, feasibility constraints, …

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• Discontinuity
o Cost function takes only discrete values of independent variables
o Cost function is a function of the number of pieces of equipment

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• Multimodal functions
• How to find extremum mathematically?

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• Convexity
o Convex region
o Convex functions
Convex Concave
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• Optimality necessary and sufficient conditions
a point of zero gradient in the objective

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• Stationary points: the gradient is zero

• Extrema (extremum points)
• Local and global optimum
• Saddle points
Saddle points

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Chemical
Product and Process Design Principles, Process:
Analysis, Design
Synthesis and Integration,
and Evaluation, 2nd Seider
4th edition, edition, Smith,
et al., 2016.2016.
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• Optimization problems
o Linear programming (LP)
o Nonlinear programming (NLP)
o Mixed-integer programming (MIP)
o Mixed-integer nonlinear programming (MINLP)
o Other types ………..

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• Linear Programming (LP)

o A linear function is one in which the dependent variables appear only to the first power
o LP problems: objective function, equality constraints and inequality constraints are all linear
o Some of the common applications of LP methods are for (1) assignment, (2) blending, (3)
distribution, (4) determining network ﬂows, (5) scheduling, and (6) transportation
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• Linear Programming (LP) - Example

o A company manufactures two products (Product 1 and Product 2) in a batch plant involving two
steps (Step I and Step II)
o Product 1 price: 3 $/kg
o The capacity of each batch : 1000 kg
o Batch cycle time:
1
Step I (h) Step II (h)

Product 1 25 10 2
Product 2 10 20
o The maximum operating time of Step I: 5000 h/year

o The maximum operating time of Step II: 6000 h/year
Determine the operation of the plant to obtain the maximum annual revenue

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o Variables?

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o Batch cycle time:
1

Product 1 25 10 2
Product 2 10 20


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o Variables?
• n1 the number of batches per year manufacturing Product 1

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o Variables?
o Constraints?

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o Batch cycle time:
1

Product 1 25 10 2
Product 2 10 20


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o Variables?
o Constraints?
• The maximum operating time of Step I
• The maximum operating time of Step II
• n1 and n2 are positives

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o Variables?
o Constraints?
• The maximum operating time of Step I
• The maximum operating time of Step II
• n1 and n2 are positives
o Objective function?

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o Variables?
• n1 the number of batches per year manufacturing Product 1 𝑛1
• n2 the number of batches per year manufacturing Product 2 𝑛2
o Constraints?
• The maximum operating time of Step I 25𝑛1 + 10𝑛2 ≤ 5000
• The maximum operating time of Step II 10𝑛1 + 20𝑛2 ≤ 6000
• n1 and n2 are positives 𝑛1 ≥ 0 𝑛2 ≥ 0
o Objective function? 𝐴 = 3 × 1000 × 𝑛1 + 2 × 1000 × 𝑛2

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n2
𝑛1 ≥ 0 (𝑛1 = 0)
600
𝑛2 ≥ 0 (𝑛2 = 0) 500
400
300
200
100
n1
200
100
300
400
500
600
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n2
𝑛1 ≥ 0 (𝑛1 = 0)
600
𝑛2 ≥ 0 (𝑛2 = 0) 500
25𝑛1 + 10𝑛2 ≤ 5000 (𝑛2 ≤ 500 − 2.5𝑛1 ) 400
300
200
100
n1
200
100
300
400
500
600
𝑛2 = 500 − 2.5𝑛1
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n2
𝑛1 ≥ 0 (𝑛1 = 0)
600
𝑛2 ≥ 0 (𝑛2 = 0) 500
25𝑛1 + 10𝑛2 ≤ 5000 (𝑛2 ≤ 500 − 2.5𝑛1 ) 400
300
10𝑛1 + 20𝑛2 ≤ 6000 (𝑛2 ≤ 300 − 0.5𝑛1 )
200
100
n1
200
100
300
400
500
600
𝑛2 = 300 − 0.5𝑛1
𝑛2 = 500 − 2.5𝑛1
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n2
𝑛1 ≥ 0 (𝑛1 = 0)
600
𝑛2 ≥ 0 (𝑛2 = 0) 500
25𝑛1 + 10𝑛2 ≤ 5000 (𝑛2 ≤ 500 − 2.5𝑛1 ) 400
300
10𝑛1 + 20𝑛2 ≤ 6000 (𝑛2 ≤ 300 − 0.5𝑛1 )
200
𝐴
𝐴 = 3000𝑛1 + 2000𝑛2 (𝑛2 = −1.5𝑛1 + ) 100
2000
n1
200
100
300
400
500
600
𝑛2 = 300 − 0.5𝑛1
A=1,000,000 $
A=600,000 $
𝑛2 = 500 − 2.5𝑛1
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n2
𝑛1 ≥ 0 (𝑛1 = 0)
600
𝑛2 ≥ 0 (𝑛2 = 0) 500
25𝑛1 + 10𝑛2 ≤ 5000 (𝑛2 ≤ 500 − 2.5𝑛1 ) 400

𝑛1 = 100
300 𝑛2 = 250
10𝑛1 + 20𝑛2 ≤ 6000 (𝑛2 ≤ 300 − 0.5𝑛1 ) 𝐴 = 800,000 $
200
𝐴
𝐴 = 3000𝑛1 + 2000𝑛2 (𝑛2 = −1.5𝑛1 + ) 100
2000
n1
200
100
300
400
500
600
𝑛2 = 300 − 0.5𝑛1
A=1,000,000 $
A=600,000 $
𝑛2 = 500 − 2.5𝑛1
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o The solution space is convex and a global optimum solution can be obtained
o The optimum always occurs at a corner point
o The optimum cannot occur inside the feasible region; it must always be at the boundary
o Automated method to solve linear programming problems: Simplex algorithm

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• Nonlinear Programming (NLP)
o There are nonlinear terms

in objective function or
constraints
o Unlike the linear optimization problem, for the nonlinear optimization problem the optimum
may or may not lie on the edge of the feasible region and can, in principle, be anywhere within
the feasible region
o Solution strategy: Successive linear programming, successive (or sequential) quadratic
programming, …
o Deterministic methods (Direct search methods, Indirect search methods) and Stochastic search
methods (Simulated annealing, Genetic algorithms, …)
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• Nonlinear Programming (NLP) 4
A
1 3
o Example B
2
N3 8
N4 N5
S N1 N2
5 6 7 N6
A  B  P   rA  k1C A
S  P  R   rS  k2CS
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A
1 3
o Example B
2
N3 8
N4 N5
Mass balance S N1 N2
N1 (Mixer)
5 6 7 N6
F2  F1  F9
F2 zi , 2  F1 zi ,1  F9 zi ,9 9
N2 (Cooler)
F3  F2 N4 (Reactor) A  B  P   rA  k1C A
F3 zi ,3  F21 zi , 2 FA, 6  FA,5  exp( k1 ) S  P  R   rS  k2CS
N6 (2 phase separator)
N3 (2 phase separator) 1  FA, 6  FA,5 F7  F8  F9
F3  F4  F5
FB , 6  FB ,5  1 F7 zi , 7  F8 yi ,8  F9 xi ,9
F3 zi ,3  F4 yi , 4  F5 xi ,5
FS , 6  FS ,5  exp( k 2 ) yi ,8  K i , N 6 xi ,9
yi , 4  K i , N 3 xi ,5
 2  FS , 6  FS ,5 i8
 4
K i, N6  9
K i, N3  i
FP , 6  FP ,5  1   2 i
 i
5
 i
yi , 4  i xi ,5  0 FR , 6  FR ,5   2  i
yi ,8  i xi ,9  0
ln( i )  f ( z , P, T , composition) N5 (Cooler) ln(i )  f ( z , P, T , composition)
f ( z)  0 Fi , 7  Fi , 6 f ( z)  0
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A
1 3
o Example B
2
N3 8
 Energy balances S N1 N2 N4 N5
5 6 7 N6
N2 (Cooler)
9
H 2  H 3  QN 2
H  H ig  H res A  B  P   rA  k1C A
N5(Cooler) S  P  R   rS  k2CS
H res  f ( z , P, T , composition)
H 6  H 7  QN 5
N4 (Reactor)
H  H ig  H res
H 6  H 5  Qreaction
Qreaction  ( H r1  1 )  ( H r 2   2 )
H  H ig  H res
f ( z)  0
f ( z)  0
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A
1 3
o Example B
2
N3 8
 Other constraints S N1 N2 N4 N5
5 6 7 N6
Pj  cons. 9
T1  T2  T9
A  B  P   rA  k1C A
T3  35 C o
S  P  R   rS  k2CS
T3  T4  T5
T7  35o C
T7  T8  T9
yi , j ....
xi , j ....
F j ....
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• Nonlinear Programming (NLP) 4 A  B  P   rA  k1C A

A S  P  R   rS  k2CS
1 3
o Example B
2
N3 8
 Process model S N1 N2 N4 N5
F2  F1  F9 FA, 6  FA,5  exp( k1 ) 5 6 7 N6

F7  F8  F9
F2 zi , 2  F1 zi ,1  F9 zi ,9
1  FA, 6  FA,5 F7 zi , 7  F8 yi ,8  F9 xi ,9 9
F3  F2
FB , 6  FB ,5  1 yi ,8  K i , N 6 xi ,9
F3 zi ,3  F21 zi , 2
FS , 6  FS ,5  exp( k 2 )  i8
F3  F4  F5 K i, N6 
 2  FS , 6  FS ,5  i9  Objective function
F3 zi ,3  F4 yi , 4  F5 xi ,5
yi , 4  K i , N 3 xi ,5 FP , 6  FP ,5  1   2  i
yi ,8  i xi ,9  0 Max FP ,8
 i4 FR , 6  FR ,5   2 ln( i )  f ( z , P, T , composition)
K i, N3 
 i5 Fi , 7  Fi , 6 f ( z)  0
 yi , 4  i xi ,5  0 Pj  cons.
i
H 6  H 7  QN 5 T1  T2  T9
H 2  H 3  QN 2 H  H ig  H res T3  35o C
H 6  H 5  Qreaction H res  f ( z , P, T , composition) T3  T4  T5
Qreaction  (H r1  1 )  (H r 2   2 ) f ( z)  0 T7  35o C
T7  T8  T9
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• Optimization strategy
o Process synthesis (determine the structure of the process)
o Process modeling/formulation
• Determine the nodes (where changes occur)
• Number the streams
• Determine the variables
• Balance the mass/molar flow for each node
• Balance the energy/enthalpy flow for each node
• Determine the range of the variables (upper and lower bounds)
• Consider other operational or design-related constraints
• Simplify the model
o Determine the objective function
o Apply an optimization algorithm or Implement the problem in an optimization package
o Tune the problem/solver
o Solve the problem
o Post optimization studies and evaluations
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• Mixed Integer (Non)Linear Programming (MINLP)

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o Almost always, a binary variable represents a choice. For example this can be a direct choice
(build factory or not) or a logical choice (and/or).
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o Structural optimization/modeling a superstructure
• How to select only one equipment?
???????

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• introducing integer (binary) variables that identify whether a feature exists or not
???????

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A
0 𝑖𝑓 𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐴 𝑑𝑜𝑒𝑠𝑛𝑡 𝑒𝑥𝑖𝑠𝑡
𝑦𝐴 = ቊ
1 𝑖𝑓𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐴 𝑒𝑥𝑖𝑠𝑡𝑠
B 0 𝑖𝑓 𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐵 𝑑𝑜𝑒𝑠𝑛𝑡 𝑒𝑥𝑖𝑠𝑡

𝑦𝐵 = ቊ
1 𝑖𝑓𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐵 𝑒𝑥𝑖𝑠𝑡𝑠
???????

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A
𝑦𝐴 = ቊ

𝑦𝐵 = ቊ
𝑦𝐴 + 𝑦𝐵 = 1

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A
𝑦𝐴 = ቊ

𝑦𝐵 = ቊ

Process Process optimization
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Optimization
• Implication constraints: if B is selected then C must be selected
A
C
B
??????????

Process Process optimization
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Optimization

𝑦𝐴 = ቊ
A 0 𝑖𝑓 𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐵 𝑑𝑜𝑒𝑠𝑛𝑡 𝑒𝑥𝑖𝑠𝑡

𝑦𝐵 = ቊ
C 1 𝑖𝑓𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐵 𝑒𝑥𝑖𝑠𝑡𝑠
B
0 𝑖𝑓 𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐶 𝑑𝑜𝑒𝑠𝑛𝑡 𝑒𝑥𝑖𝑠𝑡

𝑦𝐶 = ቊ
1 𝑖𝑓𝑒𝑞𝑢𝑖𝑝𝑚𝑒𝑛𝑡 𝐶 𝑒𝑥𝑖𝑠𝑡𝑠
??????????

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𝑦𝐴 = ቊ

𝑦𝐵 = ቊ
B

𝑦𝐶 = ቊ
if yB=1 then yC=1 how to formulate???

Saeed Eini

𝑦𝐴 = ቊ

𝑦𝐵 = ቊ
B

𝑦𝐶 = ቊ
𝑦𝐵 − 𝑦𝐶 ≤ 0

Saeed Eini
• Implication constraints: if C is not selected then FD must be zero
FD
𝑦𝐴 = ቊ

𝑦𝐵 = ቊ
B

𝑦𝐶 = ቊ
???????

Saeed Eini
• Implication constraints: if C is not selected then F must be zero
F
𝑦𝐴 = ቊ

𝑦𝐵 = ቊ
B

𝑦𝐶 = ቊ
If yC=0 then F=0 how to formulate??????

0≤𝐹≤𝑈
Saeed Eini
• Implication constraints: if C is not selected then F must be zero
F
𝑦𝐴 = ቊ

𝑦𝐵 = ቊ
B

𝑦𝐶 = ቊ
𝐹 ≤ 𝑈𝑦𝐶

Saeed Eini
• Different aspects in optimization problems
o Pre-optimization
 Problem statement
 Modeling
 Optimization formulation
 Optimization algorithm
o Optimization
 Initialization
 Solution
o Post-optimization
 Feasibility
 Optimality
 Sensitivity
 Uncertainty
 ….
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• Good optimization formulation
o Bounds (take care of feasible bounds)
o The same hints in NLP
o Take care of log functions, divisions, exponents, … they are problematic !
o Feasible initialization
o Variables
o Scaling
o Use rMINLP first to have a better initial values
o Solver
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Saeed Eini
Process Optimization
Workshop: GAMS
Saeed Eini
saeed.eini@sharif.edu
+98 21 6616 6418
http://che.sharif.edu/~ProSET

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04 Plant Design and Economics Process Optimization R02

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Plant Design and Economics

• Optimization will almost always be required at some stage in a process design.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Performance indicator ????

(1) Performance indicator: Objective

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

This degree of freedom is optimized

Objective function = Annualized capital cost + Energy cost

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Design variable One more additional degree of freedom

Two-dimensional optimization (two-variable)

An additional opportunity for optimization

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Objective function (OF) = Annualized capital cost

Design variable : QREQ

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

How to find the optimal point?

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• The equations and objective function are continuous

• The variables are continuous

• The function has only one extreme point (unimodal)

• The problem is nonlinear

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• The structure of an optimization problem

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• The structure of an optimization problem

• Objective function; a measure of goodness

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• The structure of an optimization problem

Decision variables, a subset of variables x

Lower and upper bounds on some or all of the variables

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• The structure of an optimization problem

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• The structure of an optimization problem

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

o Cost function takes only discrete values of independent variables

o Cost function is a function of the number of pieces of equipment

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• How to find extremum mathematically?

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• Optimality necessary and sufficient conditions

a point of zero gradient in the objective

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• Optimality necessary and sufficient conditions

• Stationary points: the gradient is zero

Chemical Process: Design and Integration, 2nd edition, Smith, 2016.

• Optimality necessary and sufficient conditions

o Other types ………..

• Linear Programming (LP)

• Linear Programming (LP)

• Linear Programming (LP)

• Linear Programming (LP) - Example

Step I (h) Step II (h)