OPTIMIZATION OF CHEMICAL

PROCESSES (CHE1011)

Dr. Dharmendra Kumar Bal

Assistant Professor (Sr.)
School of Chemical
Engineering

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 Course Objectives
1. Providing an overview of state-of-the-art optimization
algorithms.
2. Imparting the theoretical knowledge of chemical engineering
principles that underpin the optimization techniques.
3. Enhancing the modelling skills to describe and formulate
optimization problems and their use for solving several types
of practically relevant optimization problems in Chemical
engineering.

Introduction
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 Course Outcomes (CO)
1. Demonstrate the basic principles of Chemical Engineering
Systems
2. Recognize the different types of optimization problems for
process engineering
3. Evaluate single and multivariable optimization chemical
engineering problems
4. Execute the complex chemical engineering processes using
software tools
5. Identify the different types of hypotheses for the model
equations chemical system
6. Solve the Optimal Control and Dynamic optimization
3 problems Introduction
 Syllabus
Module -1: Formulation of Optimization Problems
Nature and Organization of Optimization problem; Mathematical concepts of
optimization; Developing model for optimization; Taylor expansion; Gradient and
Hessian matrix; Convex functions and sets; Gaussian elimination method
Module -2: Models for Optimization
Selection of function; Degrees of freedom; Classification of models; factorial
experimental design; constraints in model; Optimality conditions for a single-variable
and multi-variable functions
Module -3: Linear and Nonlinear Least square problems
One-dimensional search - Methods requiring derivatives (Newton, Quasi Newton,
Secant method); Region elimination methods (Interval halving, Fibonacci search,
Golden section); Polynomial approximations (Lagrange’s, quadratic & Cubic)
Module-4: Multivariable Optimization-I
Unconstrained multivariable optimization - Graphical visualization (contour plots, 3D
plots); Gradient based methods – Steepest descent, conjugate direction, and Newton
method
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 Syllabus
Module-5: Multivariable Optimization-II methods
Linear programming (LP) - Graphical solution - Simplex Method; Test for
optimality – Barrier methods - Sensitivity analysis; Concept of duality;
Introduction to interior-point method
Module-6: Nonlinear Programming
Nonlinear programming (NLP) with constraints; Lagrange multipliers,
Graphical illustration of NLP problems - KKT necessary and sufficient
conditions; Quadratic programming - Successive linear and quadratic
programming; Penalty function method; Integer and mixed integer
programming. (IP and MIP) - Graphical solution - Branch and bound
methods
Module-7: Dynamic Programming
Minimum cost routing problems - Solution of separable nonlinear
programming problems; Global optimization problems; Introduction to multi
Introduction
objective
5 optimization problems- Pareto optimal solutions (graphical illustration
 Books

1. Edger T.F., Himmelblau D.M., Lasdon L.S., Optimization of

Chemical Processes, 2nd ed., McGraw-Hill, USA, 2015.

2. Hillier F.S., Lieberman G. J., Introduction to Operations

Research, 7th ed., McGraw-Hill, USA, 2001.

3. Rao S.S., Engineering Optimization: Theory and Practice, 4th

ed., John Wiley & Sons Ltd., USA, 2009.

6 Introduction
 Due Max. CO
As.No. Assessment Title Weightage %
Date Mark
CO4,CO5,
15-Oct-
1 Digital Assignment -1 10 10 CO6
2020

CO1, CO3
2 QUIZ -1 - 10 10

CO4, CO5
3 QUIZ -2 - 10 10

CAT - Continous CO1, CO3

4 - 50 15
Assessment Test - I
CAT - Continous CO4,CO5,
5 - 50 15
Assessment Test - II CO6
All
6 FAT - Final Assessment Test - 100 40

Total Weightage Mark 100

7 Introduction
 Introduction
• Optimization : The act of obtaining the best result under the
given circumstances.
• Latin word: Optimus: very good or best
• (a) Design, construction and maintenance of engineering systems
(b) involves in decision making, both at the managerial and the
technological level
• Goals of such decisions :
– to minimize the effort required or
– to maximize the desired benefit
Optimization : It is defined as the process of finding the conditions
that give the minimum or maximum value of a function, where the
function represents the effort required or the desired benefit.
8 Introduction
 Why we should optimize?
 Improve the process to realize maximum system potential.

 Attain new or improved/more efficient designs, maximize profits,

reduce the cost of production

In chemical engineering:

1. Utilize resource/energy/utility in the most efficient way

2. Reduce waste generation, minimize the environmental impact

3. Determine the most desirable operating conditions, safe operation

4. Meet production specification, maximize profit.

9 Introduction
 Benefits of optimization in process plant

 Improved yield of valuable product

 Reduced energy consumption

 Higher processing rates

 Reduced maintenance cost

 Less equipment wear

 Longer time between the shut downs.

10 Introduction
 Statements of optimization problem
All optimization problems are stated in some standard form. You have to
identify the essential elements of a given problem and translate them into
a prescribed mathematical form.

The following are the requirements for the application of optimization

problems:

(a) The design or decision variables

(b) The objective function

(c) The constraints

(d) The process model

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 The design or decision variable
 The first task of optimization process is to identify the underlying
design variables that influence the system being optimized.
 The independent variables which heavily influence the system are
called decision variables.
 The decision variables are varied during optimization process in order
to achieve the optimization goal.
 Examples: Reactor temperature, feed rate, no of plates in distillation
column, reflux ratio, batch time, reactor yield etc.

If all the design variables are fixed, there is no scope for

optimization. Thus one or more variables must be relaxed so that
the system becomes an under determined system, which has in
principle infinite number of solution.
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 The objective function
 The suitable objective function is defined in terms of design or
decision variables and other process (problem) parameters.
 The objective function may be technical or economic, which needs to
be either maximized or minimized.
 Examples of economic objective function: maximize profit,
minimize cost of production.
 Examples of technical objective functions: Maximize reactor yield,
minimize size of an equipment, minimize error during curve fitting,
minimize environmental impact etc.

.Objective functions are functions of decision variables.

U are going to find out the optimal value of the decision variables that is
going to minimize or maximize the objective function.
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Technical objectives are ultimately related to economics.
 The objective function
Travel plan for a trip
(a) minimize ticket price, f1
(b) minimize travel time, f2
Single objective?
Minimize f = f1(x)
Minimize f=f2(x)
Multiple objective?
Minimize f= w1f1(x)+w2f2(x)
W1+w2 = 1
(Weighting method)

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 The Constraints
 The Constraints represent some additional functional relationships
among the decision variables and process parameters.
 The constraints originate as decision variables must satisfy certain
physical phenomena and certain resource limitations.
 Examples:
Variable bounds: 0  x 1
Equality constraints: sum of mole fractions should be unity
Component balance equation in distillation column
Inequality Constraints:
In a packed bed reactor, temperature should be less than the catalyst
deactivation temperature.
Acidic condition: pH<7.
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 The Process Model
A process model is required that describes the manner in which the decision
variables are related.
It also tells us how the objective function is influenced by the decision
variables.
A model is a mathematical equation or is a collection of several equations
that define how the decision variables are related and the acceptable values
these variables can take.
Optimization studies are carried out using a simplified and accurate model of
a real system. Working with real system is time consuming, expensive and
risky.

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