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Stochastic Global
Optimization Methods
and Applications to
Chemical,
Biochemical,
Pharmaceutical and
Environmental
Processes
Ch. Venkateswarlu
B V Raju Institute of Technology, Narsapur, Andhra Pradesh, India;
Formerly: Indian Institute of Chemical Technology (CSIR-IICT),
Hyderabad, Telangana, India
No part of this publication may be reproduced or transmitted in any form or by any means, electronic
or mechanical, including photocopying, recording, or any information storage and retrieval system,
without permission in writing from the publisher. Details on how to seek permission, further
information about the Publisher’s permissions policies and our arrangements with organizations
such as the Copyright Clearance Center and the Copyright Licensing Agency, can be found at our
website: www.elsevier.com/permissions.
This book and the individual contributions contained in it are protected under copyright by the
Publisher (other than as may be noted herein).
Notices
Knowledge and best practice in this field are constantly changing. As new research and experience
broaden our understanding, changes in research methods, professional practices, or medical
treatment may become necessary.
Practitioners and researchers must always rely on their own experience and knowledge in
evaluating and using any information, methods, compounds, or experiments described herein.
In using such information or methods they should be mindful of their own safety and the safety
of others, including parties for whom they have a professional responsibility.
To the fullest extent of the law, neither the Publisher nor the authors, contributors, or editors,
assume any liability for any injury and/or damage to persons or property as a matter of products
liability, negligence or otherwise, or from any use or operation of any methods, products,
instructions, or ideas contained in the material herein.
ISBN: 978-0-12-817392-3
xv
Preface
constrained optimization make use of numerical search techniques to locate the min-
imum (maximum) of single variable and multivariable functions. These numerical
search methods find the optimum by using the function f(x) and sometimes deriva-
tive values of f(x) at successive trial points of x. Chapter 3 discusses various gradient
and direct search methods that are used to solve single variable and multivariable
optimization problems. In this chapter, various one-dimensional gradient search
methods, polynomial approximation methods, multivariable direct search methods,
and multivariable gradient search methods with examples are discussed.
Chapter 4 describes various stochastic and evolutionary optimization algorithms.
Classical optimization methods fail to solve problems that pose difficulties concern-
ing to dimensionality, differentiability, multimodality, nonlinearity in objective
function and constraints, and problems that have many local optima. There has
been a rapidly growing interest in advanced optimization algorithms over the last
decade. Stochastic and evolutionary optimization methods are increasingly used
to solve challenging optimization problems. These methods are typically inspired
by some phenomena from nature and they are robust. These methods are capable
of locating global optimum of multimodal functions and they have flexibility with
ease of operation. These algorithms do not require any gradient information
and are even suitable to solve discrete optimization problems. These methods are
extensively used in the analysis, design, and operation of systems that are highly
nonlinear, high dimensional, and noisy or for solving problems that are not easily
solved by classical deterministic methods of optimization. Various stochastic and
global optimization methods are now becoming industry standard. Chapter 4 mainly
focuses on evolutionary and stochastic optimization algorithms such as genetic
algorithm, simulated annealing, differential evolution, ant colony optimization,
tabu search, particle swarm optimization, artificial bee colony algorithm, and cuckoo
search algorithm. In Chapter 4, these algorithms are described in detail with flow
schemes and implementation procedures. Implementation of stochastic global
optimization methods to base case problems involving continuous and discrete
numerical functions gives intriguing insight about the efficacy of these methods
for their further implementation to real engineering applications. Chapter 5 provides
different base case applications and performance evaluation of various stochastic
global optimization methods.
Chapter 6 discusses application of stochastic evolutionary optimization tech-
niques to chemical processes. The chemical industry is experiencing significant
changes because of global market competition, strict bounds on product specifica-
tions, pricing pressures, and environmental issues. Optimization is the most
important approach that addresses the performance issues related to several areas
of chemical process engineering including process design, process development,
process modeling, process identification, process control, and real-time process
operation. Optimization is also used in process synthesis, experimental design,
planning, scheduling, distribution, and integration of process operations. Most of
the chemical engineering problems exhibit highly nonlinear dynamics and often
present nonconvexity, discontinuity, and multimodality. The classical deterministic
Preface xix
Optimization is the process of finding the set of conditions required to achieve the
best solution in a given situation. Optimization is of great interest and finds wide-
spread use in engineering, science, economics, and operations research. This intro-
ductory chapter presents the basic features and concepts that set the stage for the
development of optimization methods in the subsequent chapters.
Stochastic Global Optimization Methods and Applications to Chemical, Biochemical, Pharmaceutical and Environmental Processes. 1
https://doi.org/10.1016/B978-0-12-817392-3.00001-6
Copyright © 2020 Elsevier Inc. All rights reserved.
2 CHAPTER 1 Basic features and concepts of optimization
1.1 Introduction
A wide variety of problems in design, operation, and analysis of engineering and
technological processes can be resolved by optimization. This chapter provides
the motivation for the topic of optimization by means of presenting its basic features
along with its scope, examples of its applications, and its essential components.
Furthermore, its basic concepts are described in terms of functions, behavior of func-
tions, and maxima and minima of functions. This chapter further deals with the
region of search within the constraints, classification of problems in optimization,
general solution procedure, and the obstacles of optimization.
Total cost
Cost, $/(year)
(ft of pipe length) Capital investment
for installed pipe
Power cost
Optimum for pumping
pipe diameter
E
Pipe diameter
FIGURE 1.1
Determination of optimum pipe diameter.
when small quantity of air is supplied to the burner, there is not enough oxygen in the
air to completely react with all the carbon in the fuel to form CO2. Some oxygen in
the air can combine with the carbon in the fuel to form carbon monoxide (CO). The
CO is highly toxic gas associated with the combustion and its formation has to be
minimized. The most efficient use of CO2 can be achieved when its concentration
in the exhaust is minimized. This happens only when there is sufficient oxygen
(O2) in the air to react with all the carbon in the fuel. The theoretical air required
for the combustion reaction depends on the fuel composition and the rate of fuel sup-
ply. As the air level is increased up to 100% of the theoretical air, the concentration
of CO decreases rapidly to a minimum and the values CO2 and O2 attain their
maximum level. Further increase in air supply begins to dilute the exhaust gases
causing to decrease the CO2 concentration. These situations are depicted in
Fig. 1.2. Optimizing the air supply or air fuel ratio is desired to increase the
efficiency of the combustion process.
% CO2 % O2
%Gas
concentration
% CO
80 100 120
% Theoretical air
FIGURE 1.2
Efficiency of a combustion process as a function of air supply.
1.2 Basic features 5
x, s
Mass/ s
volume x
Washout
D Dmax
FIGURE 1.3
Variation of x and s with respect to D.
6 CHAPTER 1 Basic features and concepts of optimization
Dx
Doptimum D
FIGURE 1.4
Optimum dilution rate that maximizes cell production.
True
model Fitted
model
Performance
A B
FIGURE 1.5
Response behavior due to model uncertainty.
dashed curve represents the true response and the solid curve corresponds to the
fitted model. If the goal is to maximize the response performance, the model should
provide the optimal value of the design variable at point A. If the fitted model pro-
vides point B as the design variable, the response exhibits much lower performance
than the true optimal. Thus, even a slight deviation of the fitted model from the true
model might result unacceptable performance. It can be observed that the difference
between the predicted value of the response based on the design point at B is larger
than that of at A.
f(x)
Continuous
function
+ ve
x
- ve
FIGURE 1.6
Continuous function: f (x) ¼ (x þ 5) (x5), f (x) ¼ 0 for x ¼ 5.
f(x) Discontinuous
function
+ ve
x
- ve
FIGURE 1.7
Discontinuous function: f (x) ¼ 1/(x5), f (x) ¼ a for x ¼ 5.
ΔP=f(D)
D1 D2 D3 D4 D
FIGURE 1.8
Discrete function: DP ¼ f (D).
(A)
f(x)
x1 x2 x
(B) .
f(x)
x1 x2 x
(C)
f(x)
x1 x2 x
(D)
f(x)
x1 x2 x
FIGURE 1.9
Monotonic functions. (A) Monotonic increasing; (B) monotonic nondecreasing;
(C) monotonic decreasing; and (D) monotonic nonincreasing.
10 CHAPTER 1 Basic features and concepts of optimization
nondecreasing when f(x2) f(x1) for x2 > x1. A function is termed to be monotonic
decreasing when f(x2) < f(x1) for x2 > x1. A function is said to be monotonic nonin-
creasing when f(x2) f(x1) for x2 > x1.
(c) Unimodal and multimodal functions
When the values of a function are plotted against its independent variables, the
function initially starts to increase up to a maximum and then falls away. Similarly,
the function may fall to a minimum and then increase for changes in its variable
values. Such functions are termed as unimodal functions. These functions possess
a local maximum or local minimum represented by a single peak as shown in
Fig. 1.10.
Functions with two peaks representing the maximum or minimum are called
bimodal functions. Functions with more than two peaks are referred as multimodal
functions. Such functions are shown in Fig. 1.11.
Unimodality: The interpretation of unimodality is useful in the application of
numerical search techniques. For one-dimensional case, the unimodality is defined
as
f x1;1 < f x1;2 < f x1 if x1;1 < x1;2 < x1
(1.2)
f x1 > f x1;3 > f x1;4 if x1 < x1;3 < x1;4
This definition satisfies unimodality for maximum at x1 as shown in Fig. 1.12.
Similarly, unimodality for minimum can be defined as shown in Fig. 1.13.
(d) Convex and concave functions
Convex function: This function has a single peak denoting the minimum as
shown in Fig. 1.14.
The function f(x) is said to be convex if for any two points x1 and x2 in x over the
convex set for 0 a 1 such that
f ½ax2 þ ð1 aÞx1 af ðx2 Þ þ ð1 aÞf ðx1 Þ (1.3)
f(x)
ii
x
FIGURE 1.10
Unimodal functions: (i) one minimum, (ii) one maximum.
1.3 Basic concepts 11
f(x) i
ii
x
FIGURE 1.11
Multimodal functions: (i) bimodal function, (ii) multimodal function.
f(x)
f(x)
FIGURE 1.13
Unimodality for minimum.
f(x)
x* x
FIGURE 1.14
Convex function.
12 CHAPTER 1 Basic features and concepts of optimization
A convex set is the set in which every point in the interval joining the points x1
and x2 for 0 a 1 is defined by x ¼ (1a)x1 þ ax2. A convex function passes
below the straight line joining the points x1 and x2 as shown in Fig. 1.15.
Concave function: This function has a single peak representing the maximum as
shown in Fig. 1.16.
The function f(x) is said to be concave if for any two points x1 and x2 in x over the
set 0 a 1 such that
f ½ax2 þ ð1 aÞx1 af ðx2 Þ þ ð1 aÞf ðx1 Þ (1.4)
A concave set is the set in which every point in the interval joining the points x1
and x2 for 0 a 1 is defined by x ¼ (1 a)x1 þ ax2. A concave function passes
above the straight line joining the points x1 and x2 as shown in Fig. 1.17.
FIGURE 1.15
Convex function over the convex set.
f(x)
x* x
FIGURE 1.16
Concave function.
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