OPTIMIZATION OF CHEMICAL

PROCESSES (CHE1011)

Dr. Dharmendra Kumar Bal

Assistant Professor
School of Chemical Engineering
Email:
dharmendrakumar.b@vit.ac.in

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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 strengthen
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. Summarize the different types of optimization
problems for process engineering
3. Evaluate single and multivariable optimization
chemical engineering problems
4. Identify the different types of hypotheses for the
model equations chemical system
5. Solve the optimization problems in real field
applications.

Introduction 3
 Syllabus
Module -1: Formulation of Optimization Problems
Nature and Organization of Optimization problem- Mathematical
concepts of optimization- Gradient and Hessian matrix- Convex
functions and sets- Degrees of freedom- Developing model for
optimization- Constraints in model- Fitting models to data- Method
of least squares- Factorial experimental design
Module -2: Single Variable Optimization - Unconstrained
One-dimensional search - Methods requiring derivatives (Newton,
Quasi Newton, Secant method); Region elimination methods (Interval
halving, Fibonacci search, Golden section)
Module -3: Multivariable Optimization –Unconstrained
Unconstrained multivariable optimization - Graphical visualization
(contour plots, 3D plots)- Gradient based methods – Steepest
descent- conjugate direction - Newton method
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Module-4: Linear Programming
Linear programming (LP) - Graphical solution - Simplex Method -Test for optimality
–Sensitivity analysis - Introduction to interior-point method
Module:5 Nonlinear Programming with constraints
Nonlinear programming (NLP) with constraints- Lagrange multipliers - Graphical
illustration of NLP problems - KKT necessary and sufficient conditions- Quadratic
programming - Successive linear and quadratic programming- Branch and bound
methods- Minimum cost routing problems - Solution of separable nonlinear
programming problems
Module:6 Optimization of Chemical processes-I
Optimal pipe diameter- Minimum work of gas compression- Economic operation
offixed bed filter- Optimal design of gas transmission network- Optimum recovery
of waste heat
Module:7 Optimization of Chemical processes-II
Optimal design and operation of staged distillation columns- Optimal design and
operation of Chemical reactors- Optimum design of shell and tube heat exchanger -
optimization of heat exchanger networks- optimization of multistage evaporators
processes 5
 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.

Introduction
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 Introduction
• Optimization : The act of obtaining the best result under the given
circumstances.
• Latin word: Optimus: very good or best
• Design, construction and maintenance of engineering systems
involve decision making both at the managerial and the technical
level
• Goals of such decisions :
– to minimize the effort required or
– to maximize the desired benefit
Optimization: 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.
Introduction
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 Why we should optimize?
• Improves the process to realize the 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.

Introduction 8
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.

Introduction 9
 Distillation column

1. Determination of optimal feed location and

2. Determination of optimal reflux ratio are the important optimization
parameters.
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 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 decision variables are varied during optimization process in order
to achieve the optimization goal.
• The variables which heavily influence the system are called decision
variables.
• 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.
Technical objectives are ultimately related to economics.
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 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 variable.
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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 Problem statement
Given a design vector , X= [x1, x2, ……xn]T
An objective function, f(X)
A set of inequality constraints, g( X )  0
A set of equality constraints, h( X )  0
The general problem statement, minx f(X)
subject to g( X )  0
h( X )  0

LB  X  UB
The optimization problem is to “ find values of decision
variables that minimize or maximize the objective function
while satisfying the constraints”.

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 Equivalent problem statement
The general problem statement,
Maxx -f(X)
subject to
g( X )  0

h( X )  0

LB  X  UB

Introduction 18
 Classification of optimization methods
Classification based on presence/absence of constraints:
Constrained optimization problems: which are subjected to
one or more constraints
Unconstrained optimization problems: in which no
constraint exists.
Classification based on nature of equations involved:
Linear programming (LP), Non-linear programming (NLP),
Quadratic programming (QP).
Classification based on nature of decision variables:
Continuous optimization, integer programming, Mixed
integer linear programming, MINLP
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 Classification of optimization methods
Classification based on search space:

Local search method, global search method

Classification based on number of objective functions:

Single objective optimization, multi objective optimization.

Another classification:

Deterministic optimization, stochastic optimization.

Introduction 20