Malaviya National Institute of Technology Jaipur

Optimization of Chemical Process

(Course Code: CH305 )
Dr. V. Subbaraamaiah
Assistant Professor,
Dept. of Chemical Engg.,
Engg.,
MNIT, Jaipur.
Jaipur.
Email Id: [email protected]

Slide 1

About The Course

Course: Optimization of Chemical Process
Course Code: CH305
Credit Hours: (L-T-C) (3-1-0 ) 4

Course Outcome:
Identify different types of optimization problems
Understanding of different optimization techniques
Ability to solve various multivariable optimization problems
Ability to solve optimization using Excel Solver and MATLAB
.

Slide 2

1
1
 Course Introduction:
Introduction:
This course is offered by Dept
Dept.. of Chemical Engineering
as a advanced elective-
elective-I.

This course will provide the student with the ability to

formulate, solve and interpret meaningful optimization
problems in chemical engineering field.
field.

Every chemical engineers should have knowledge for

this particular course content.
content.

It is being taught in B.Tech Chemical engineering at

almost all the reputed institutions
institutions..

Typical problems in chemical engineering arise in

process design, process control, model development,
process identification, and real
real--time optimization
optimization..
Slide 3

SYLLABUS (CHT-
(CHT-305)
Chapter 1: Formulation of the objective function. Unconstrained single
variable optimization: Newton, Quasi-Newton methods, polynomial
approximation methods.
Chapter 2: Unconstrained multivariable optimization: Direct search method,
conjugate search method, steepest descent method, conjugate gradient
method, Newton’s method.
Chapter 3 : Linear Programming: Formulation of LP problem, graphical
solution of LP problem, simplex method, duality in Linear Programming, two-
phase method.
Chapter 4: Non linear programming with constraints: Necessary and
sufficiency conditions for a local extremum, Quadratic programming,
successive quadratic programming, Generalized reduced gradient (GRG)
method.
Chapter 4: Use of MS-Excel and MATLAB for solving optimization problems.
Introduction to 4global optimization techniques. Applications of optimization
7 in
Chemical Engineering. Slide 4

2
2
 Optimization of Chemical Process

S.No. Authors / Name of Book / Publisher Year of

Publicat
ion
1 Edgar, T.F., Himmelblau, D. M., Lasdon, L. S., 2001
“Optimization of Chemical Process”, 2 nd ed.,
McGraw-Hill.
2 Rao, S. S., “Optimisation Techniques”, Wiley 1985
Eastern, New Delhi.
3 Godfrey, C.O. and Babu, B.V., “New Optimization 2004
Techniques in Engineering”, Springer-Verlag,
Germany.
5

Slide 5

Important Note
1. Homework Assignments: Homework assignments are bonus
points. It will only benefit you if you spend the necessary time to
understand the basics and solve the problems yourself. Keep up
with the homework assignments, as the topics in this course build
upon each other.

2. Quizzes: Focused assessment by chapter to monitor your progress

and discover your weakness in the chapter. If you do bad in
quizzes you must rethink: (1) the way you solved your homework
,and (2) reconsider to efficiently use the office hours.

3. Be Professional and watch the deadlines: In your professional

life dedication and keeping deadlines are your keys for success,
No One (neither your boss nor you client) will respect your
excuses for a delayed work. Start here and teach your self the
wisdom of6 an organized professional learning.
Slide 6

3
3
 Important Note
4. Attendance Policy
The Attendance Policy applies to this course. The
students will not allow for the Google classroom ten
(10) minutes after the class start time.

5. Assignment Delay Policy

one day of delay will reduce your assignment marks by
1. 2 days delay mean -2 and so on… if assignment is
delayed by one week, there will be no marks
7

Slide 7

LINEAR PROGRAMMING:
THE GRAPHICAL METHOD

Linear Programming Problem

Properties of LPs
LP Solutions
Graphical Solution
Introduction to Sensitivity Analysis

Slide 8

4
4
 Linear Programming (LP) Problem

A mathematical programming problem is one that seeks to

maximize or minimize an objective function subject to
constraints.
If both the objective function and the constraints are linear,
the problem is referred to as a linear programming
problem..
problem
Linear functions are functions in which each variable
appears in a separate term raised to the first power and is
multiplied by a constant (which could be 0).
Linear constraints are linear functions that are restricted to
be "less than or equal to", "equal to", or "greater than or
equal to" a constant.

Slide 9

Linear Programming (LP) M

There are five common types of decisions in

which LP may play a role
• Product mix
• Production plan
• Ingredient mix
• Transportation
• Assignment

Slide 10

5
5
 Steps in Developing a
Linear Programming (LP) Model
1) Formulation

2) Solution

3) Interpretation and Sensitivity Analysis

Slide 11

Steps in Formulating LP Problems

1. Define the objective. (min or max)

2. Define the decision variables. (positive, binary)
3. Write the mathematical function for the objective.
4. Write a 1-
1- or 22--word description of each constraint.
5. Write the right-
right-hand side (RHS) of each constraint.
6. Write <, =, or > for each constraint.
7. Write the decision variables on LHS of each
constraint.
8. Write the coefficient for each decision variable in
each constraint.

Slide 12

6
6
 Properties of LP Models
1) Seek to minimize or maximize
2) Include “constraints” or limitations
3) There must be alternatives available
4) All equations are linear

Slide 13

LP Problems in: Product Mix

Objective
To select the mix of products or services that
results in maximum profits for the planning
period
Decision Variables
How much to produce and market of each product
or service for the planning period
Constraints
Maximum amount of each product or service
demanded;; Minimum amount of product or
demanded
service policy will allow
allow;; Maximum amount of
resources available
Slide 14

7
7
 Example LP Model Formulation:
The Product Mix Problem
Decision: How much to make of > 2
products?

Objective: Maximize profit

Constraints: Limited resources

Slide 15

Example: Pine Furniture Co.

Two products: Chairs and Tables

Decision: How many of each to make this month?

Objective: Maximize profit

Slide 16

8
8
 Pine Furniture Data

Tables Chairs
(per table)
table) (per chair)
chair)
Profit Hours
$7 $5
Contribution Available
Carpentry 3 hrs 4 hrs 2400
Painting 2 hrs 1 hr 1000

Other Limitations:
• Make no more than 450 chairs
• Make at least 100 tables
Slide 17

Constraints:

Have 2400 hours of carpentry time available

3 T + 4 C < 2400 (hours)

Have 1000 hours of painting time available

2 T + 1 C < 1000 (hours)

Slide 18

9
9
More Constraints:
Make no more than 450 chairs
C < 450 (num. chairs)
Make at least 100 tables
T > 100 (num. tables)

Nonnegativity::
Nonnegativity
Cannot make a negative number of chairs or tables
T>0
C>0

Slide 19

Model Summary
Max 7T + 5C (profit)
Subject to the constraints:

3T + 4C < 2400 (carpentry hrs)

2T + 1C < 1000 (painting hrs)

C < 450 (max # chairs)

T > 100 (min # tables)
T, C > 0 (nonnegativity
nonnegativity))

Slide 20

10
10
 Formulation of Problem-
Problem-2

Rolls of paper having a fixed length and width of 180

cm are being manufactured by a paper mill. mill. These
rolls have to be cut to satisfy the following demand
demand::
Width : 80 CM 45 CM 27 CM
Number of Rolls : 200 120 130
Discuss the liner programming formulation of the
problem to determine the cutting pattern, so that the
demand is satisfied and waste of paper become
minimize..
minimize

Slide 21

Formulation of Problem-
Problem-3

A rectangular open tank has been made for biological

treatment of wastewater (batch process) process).. The
dimensions of the tank as length x1 meters, width x2
meters, and height x3 meters
meters.. The sides and bottom of
the tank cost are Rs
Rs.. 1200/
1200/-, and Rs 2500/- per m2 area,
Rs.. 2500/
respectively.. The operating cost for the tank is Rs
respectively Rs.. 500
500//-
for each batch of water treatment
treatment.. A maintenance cost
of Rs
Rs.. 100
100//- for every 10 batch is required.
required. Assuming
that the tank will have no salvage value, find the
minimum cost for the treatment of 1000 m3 of
wastewater.. Assume the salvage value of the tank is
wastewater
zero after 1000 m3 of wastewater treatment
treatment..
Hint: Total cost= cost of tank + operating cost + maintenance
cost.
cost.
Slide 22

11
11
 X2

X3

X1

Total Cost of water treatment= Cost of the tank +

Operating cost wastewater treatment + Maintenance
Cost
= (Cost of Sides + Cost of Bottom) + Number of batch
X (Cost of each batch) + 100 X (Number of batch)/10

Slide 23

Slide 24

12
12
Classification of Optimization Problems

Slide 25

Classification of Optimization Problems

Slide 26

13
13
Classification of Optimization Problems

Slide 27

Classification of Optimization Problems

Slide 28

14
14
 Classification of Optimization Problems

Slide 29

Problem 4

A series reaction A B C has been carried

out in PFR;
PFR; where second reaction is undesired reaction
with unwanted product C. If we allow small time for
the reaction, production of B will be very less and if we
allow large time then conversion of C will be high
high.. Find
the time t* the concentration of desired product B will
be maximum
maximum..

Slide 30

15
15
 We are interested to produce P in the reaction A
P using continuous reactor at 240 liters/hr with CAo = 3
moles/liter. However, it is noticed that there is a second
reaction P R that can also occur. This undesired
reaction produced undesired product R. It is found that
both reactions are irreversible and first order with k1 =
0.45 min-1, and k2 = 0.1 min-1. Derive the objective
function for finding maximum yield of P.

Slide 31

Graphical Solution
Graphing an LP model helps provide
insight into LP models and their solutions
solutions..

While this can only be done in two

dimensions, the same properties apply to
all LP models and solutions.
solutions.

Slide 32

16
16
 C
Carpentry
Constraint Line
3T + 4C = 2400 Infeasible
600
> 2400 hrs

Intercepts
(T = 0, C = 600) Feasible
(T = 800, C = 0) < 2400 hrs
0
0 800 T

Slide 33

C
1000
Painting
Constraint Line
2T + 1C = 1000
600

Intercepts
(T = 0, C = 1000)
(T = 500, C = 0) 0
0 500 800 T

Slide 34

17
17
 C
1000
Max Chair Line
C = 450

600
Min Table Line
450
T = 100

Feasible
Region
0
0 100 500 800 T

Slide 35

C
Objective
Function Line
500
7T + 5C = Profit
Optimal Point
400 (T = 320, C = 360)

300

200

100

0 100 200 300 400 500

SlideT 36

18
18
 C
Additional Constraint New optimal point
500 T = 300, C = 375
Need at least 75
more chairs than
tables 400 T = 320
C > T + 75 C = 360
No longer
300
Or feasible

C – T > 75
200

100

0 100 200 300 400 500

SlideT 37

LP Characteristics

Feasible Region:
Region: The set of points that satisfies
all constraints
Corner Point Property:
Property: An optimal solution
must lie at one or more corner points
Optimal Solution:
Solution: The corner point with the
best objective function value is optimal

Slide 38

19
19
 Special Situation in LP
1. Redundant Constraints - do not affect the
feasible region

Example: x < 10
x < 12
The second constraint is redundant because
it is less restrictive.

Slide 39

Special Situation in LP
2. Infeasibility – when no feasible solution
exists (there is no feasible region)

Example: x < 10
x > 15

Slide 40

20
20
 Special Situation in LP
3. Alternate Optimal Solutions – when there is
more than one optimal solution

C
Max 2T + 2C 10
Subject to: All points on
T + C < 10 Red segment
6
T < 5 are optimal
C< 6
T, C > 0
0
0 5 10 T
Slide 41

Special Situation in LP

4. Unbounded Solutions – when nothing prevents the

solution from becoming infinitely large

C
Max 2T + 2C
Subject to: 2
2T + 3C > 6
T, C > 0 1

0
0 1 2 3 T
Slide 42

21
21
 Building Linear Programming Models

1. What are you trying to decide - Identify the decision

variable to solve the problem and define appropriate
variables that represent them. For instance, in a simple
maximization problem, RMC, Inc. interested in
producing two products: fuel additive and a solvent
base. The decision variables will be X1 = tons of fuel
additive to produce, and X2 = tons of solvent base to
produce.
2. What is the objective to be maximized or
minimized? Determine the objective and express it as a
linear function. When building a linear programming
model, only relevant costs should be included, sunk
costs are not included. In our example, the objective
function is: z = 40X1 + 30X2;
where 40 and 30 are the objective function coefficients.
Slide 43

Building Linear Programming Models

3. What limitations or requirements restrict the values

of the decision variables? Identify and write the
constraints as linear functions of the decision variables.
Constraints generally fall into one of the following
categories:
• a. Limitations - The amount of material used
in the production process cannot exceed the amount
available in inventory. In our example, the
limitations are:
• Material 1 = 20 tons
• Material 2 = 5 tons
• Material 3 = 21 tons available.
• The material used in the production of X1 and X2 are
also known.
Slide 44

22
22
 Building Linear Programming Models

To produce one ton of fuel additive uses .4 ton of

material 1, and .60 ton of material 3. To produce one
ton of solvent base it takes .50 ton of material 1, .20 ton
of material 2, and .30 ton of material 3. Therefore, we
can set the constraints as follows:
.4X1 + .50 X2 <= 20
.20X2 <= 5
.6X1 + .3X2 <=21, where
.4, .50, .20, .6, and .3 are called constraint coefficients.
The limitations (20, 5, and 21) are called Right Hand
Side (RHS).
b. Requirements - specifying a minimum levels of
performance. For instance, production must be
sufficient to satisfy customers’ demand.
Slide 45

LP Solutions
The maximization or minimization of some quantity
is the objective in all linear programming problems.
A feasible solution satisfies all the problem's
constraints.
Changes to the objective function coefficients do not
affect the feasibility of the problem.
An optimal solution is a feasible solution that results
in the largest possible objective function value, z,
when maximizing or smallest z when minimizing.
In the graphical method, if the objective function line
is parallel to a boundary constraint in the direction of
optimization, there are alternate optimal solutions
solutions,,
with all points on this line segment being optimal.

Slide 46

23
23
 LP Solutions
A graphical solution method can be used to solve a
linear program with two variables.
If a linear program possesses an optimal solution,
then an extreme point will be optimal.
If a constraint can be removed without affecting the
shape of the feasible region, the constraint is said to
be redundant
redundant..
A nonbinding constraint is one in which there is
positive slack or surplus when evaluated at the
optimal solution.
A linear program which is overconstrained so that no
point satisfies all the constraints is said to be
infeasible..
infeasible

Slide 47

LP Solutions
A feasible region may be unbounded and yet there
may be optimal solutions. This is common in
minimization problems and is possible in
maximization problems.
The feasible region for a two-
two-variable linear
programming problem can be nonexistent, a single
point, a line, a polygon, or an unbounded area.
Any linear program falls in one of three categories:
• is infeasible
• has a unique optimal solution or alternate optimal
solutions
• has an objective function that can be increased
without bound

Slide 48

24
24
 Example: Graphical Solution
Solve graphically for the optimal solution:

Min z = 55x
x1 + 22xx2

s.t. 22xx1 + 55xx2 > 10

4x1 - x2 > 12
x1 + x2 > 4

x1, x2 > 0

Slide 49

Example: Graphical Solution

Graph the Constraints

Constraint 1:
1: When x1 = 0, then x2 = 2; when x2 = 0,
then x1 = 5. Connect (5,0) and (0,2). The ">" side is
above this line.
Constraint 2:
2: When x2 = 0, then x1 = 3. But setting x1 to
0 will yield x2 = -12, which is not on the graph.
Thus, to get a second point on this line, set x1 to any
number larger than 3 and solve for x2: when x1 = 5,
then x2 = 8. Connect (3,0) and (5,8). The ">" side is
to the right.
Constraint 3:
3: When x1 = 0, then x2 = 4; when x2 = 0,
then x1 = 4. Connect (4,0) and (0,4). The ">" side is
above this line.

Slide 50

25
25
 Example: Graphical Solution

Constraints Graphed

x2 Feasible Region

4x1 - x2 > 12
5

4 x1 + x2 > 4

3
2x1 + 5x
5x2 > 10
2

1
x1
1 2 3 4 5 6

Slide 51

Example: Graphical Solution

Graph the Objective Function
Set the objective function equal to an arbitrary
constant (say 20) and graph it. For 5x
5x1 + 22x
x2 = 20,
when x1 = 0, then x2 = 10; when x2= 0, then x1 = 4.
Connect (4,0) and (0,10).

Move the Objective Function Line Toward

Optimality
Move it in the direction which lowers its value
(down), since we are minimizing, until it touches the
last point of the feasible region, determined by the
last two constraints. This is called the Iso-
Iso-Value Line
Method.

Slide 52

26
26
 Example: Graphical Solution

Objective Function Graphed

x2 Min z = 5
5xx1 + 2x
2x2

4x1 - x2 > 12
5

4 x1 + x2 > 4

3
2x1 + 5x
5x2 > 10
2

1
x1
1 2 3 4 5 6

Slide 53

Example: Graphical Solution

Solve for the Extreme Point at the Intersection of the

Two Binding Constraints
4x1 - x2 = 12
x1+ x2 = 4
Adding these two equations gives:
5x1 = 16 or x1 = 16/5.
Substituting this into x1 + x2 = 4 gives: x2 = 4/5
Solve for the Optimal Value of the Objective Function
Solve for z = 55xx1 + 22xx2 = 5(16/5) + 2(4/5) = 88/5.
Thus the optimal solution is

x1 = 16/5; x2 = 4/5; z = 88/5

Slide 54

27
27
 Example: Graphical Solution

x2 Min z = 5
5xx1 + 2x
2x2

4x1 - x2 > 12
5

4 x1 + x2 > 4

3
2x1 + 5x
5x2 > 10
2

1
Optimal: x1 = 16/5
x2 = 4/5
x1
1 2 3 4 5 6

Slide 55

Sensitivity Analysis

Sensitivity analysis is used to determine effects on the

optimal solution within specified ranges for the
objective function coefficients, constraint coefficients,
and right hand side values.
Sensitivity analysis provides answers to certain what-
what-if
questions.

Slide 56

28
28
 Range of Optimality

A range of optimality of an objective function

coefficient is found by determining an interval for the
objective function coefficient in which the original
optimal solution remains optimal while keeping all
other data of the problem constant. The value of the
objective function may change in this range.
Graphically, the limits of a range of optimality are
found by changing the slope of the objective function
line within the limits of the slopes of the binding
constraint lines. (This would also apply to
simultaneous changes in the objective coefficients.)
The slope of an objective function line, Max c1x1 + c2x2,
is -c1/c2, and the slope of a constraint, a1x1 + a2x2 = b, is
-a1/a2.
Slide 57

Example: Sensitivity Analysis

Solve graphically for the optimal solution:

Max z = 55xx1 + 77x

x2

s.t. x1 < 6
2x1 + 33xx2 < 19
x1 + x2 < 8

x1, x2 > 0

Slide 58

29
29
 Example: Sensitivity Analysis
Graphical Solution
x2
8 x1 + x2 < 8
Max 5x1 + 7x2
7

6
x1 < 6
5

4
Optimal x1 = 5, x2 = 3
z = 46
3

2
2x1 + 3x
3x2 < 19
1

1 2 3 4 5 6 7 8 9 10 x1

Slide 59

Example: Sensitivity Analysis

Range of Optimality for c1

The slope of the objective function line is -c1/c2.
The slope of the first binding constraint, x1 + x2 = 8, is -1
and the slope of the second binding constraint,
x1 + 33xx2 = 19, is -2/3.
Find the range of values for c1 (with c2 staying 7)
such that the objective function line slope lies between
that of the two binding constraints:
-1 < -c1/7 < -2/3
Multiplying through by -7 (and reversing the
inequalities):
14/3 < c1 < 7

Slide 60

30
30
 Example: Sensitivity Analysis

Range of Optimality for c2

Find the range of values for c2 ( with c1 staying 5)
such that the objective function line slope lies between
that of the two binding constraints:
-1 < -5/
5/cc2 < -2/3
Multiplying by -1: 1 > 5/
5/cc2 > 2/3
Inverting, 1 < c2/5 < 3/2

Multiplying by 5: 5 < c2 < 15/2

Slide 61

Example: Sensitivity Analysis

Shadow Prices
Constraint 1:
1: Since x1 < 6 is not a binding constraint,
its shadow price is 0.
Constraint 2:
2: Change the RHS value of the second
constraint to 20 and resolve for the optimal point
determined by the last two constraints:
2x1 + 33xx2 = 20 and x1 + x2 = 8.
The solution is x1 = 4, x2 = 4, z = 48. Hence, the
shadow price = znew - zold = 48 - 46 = 2.

Slide 62

31
31
 Example: Sensitivity Analysis

Shadow Prices (continued)

Constraint 3:
3: Change the RHS value of the third
constraint to 9 and resolve for the optimal point
determined by the last two constraints:
2x1 + 33xx2 = 19 and x1 + x2 = 9.
The solution is: x1 = 8, x2 = 1, z = 47. Hence, the
shadow price is znew - zold = 47 - 46 = 1.

Slide 63

Example: Infeasible Problem

Solve graphically for the optimal solution:

Max z = 22xx1 + 66x

x2

s.t. 44x
x1 + 33xx2 < 12
2x1 + x2 > 8

x1, x2 > 0

Slide 64

32
32
 Example: Infeasible Problem

There are no points that satisfy both constraints, hence

this problem has no feasible region, and no optimal
solution.
x2

8 2x1 + x2 > 8

3x2 < 12
4x1 + 3x
4

x1
3 4
Slide 65

Example: Unbounded Problem

Solve graphically for the optimal solution:

Max z = 33x
x1 + 44xx2

s.t. x1 + x2 > 5
3x1 + x2 > 8

x1, x2 > 0

Slide 66

33
33
 Example: Unbounded Problem

The feasible region is unbounded and the objective

function line can be moved parallel to itself without
bound so that z can be increased infinitely.
x2
3x1 + x2 > 8
8

x1 + x2 > 5
5

Max 3x
3x1 + 4x
4x2

x1
2.67 5
Slide 67

Slide 68

34
34
Slide 69

Slide 70

35
35
Slide 71

Slide 72

36
36
Slide 73

Slide 74

37
37
Slide 75

Slide 76

38
38
Slide 77

Slide 78

39
39
Slide 79

Slide 80

40
40
Slide 81

Slide 82

41
41
Slide 83

Slide 84

42
42
Slide 85

Slide 86

43
43
Slide 87

Slide 88

44
44
Slide 89

Slide 90

45
45
Slide 91

Slide 92

46
46
Slide 93

Slide 94

47
47
Slide 95

Slide 96

48
48
Slide 97

Slide 98

49
49
Slide 99

Slide 100

50
50
Slide 101

51
51