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FRAMEWORK OF COMPUTER-AIDED SUSTAINABLE INTEGRATED PROCESS DESIGN AND CONTROL FOR REACTOR SYSTEMS SITI AMINAH BINTI ZAKARIA UNIVERSITI TEKNOLOGI MALAYSIA

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Page 1: FRAMEWORK OF COMPUTER-AIDED SUSTAINABLE INTEGRATED PROCESS DESIGN …eprints.utm.my/id/eprint/54606/1/SitiAminahZakariaMFKChE... · 2017-04-25 · FRAMEWORK OF COMPUTER-AIDED SUSTAINABLE

FRAMEWORK OF COMPUTER-AIDED SUSTAINABLE INTEGRATED

PROCESS DESIGN AND CONTROL FOR REACTOR SYSTEMS

SITI AMINAH BINTI ZAKARIA

UNIVERSITI TEKNOLOGI MALAYSIA

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FRAMEWORK OF COMPUTER-AIDED SUSTAINABLE INTEGRATED

PROCESS DESIGN AND CONTROL FOR REACTOR SYSTEMS

SITI AMINAH BINTI ZAKARIA

A thesis submitted in fulfillment of the

requirements for the award of the degree of

Master of Engineering (Chemical)

Faculty of Chemical Engineering

Universiti Teknologi Malaysia

JUNE 2015

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To my beloved husband, little calliph, parents and family.

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ACKNOWLEDGEMENT

First of all, I would like to give a greatest thanks to Allah the Almighty when

lastly I finished this project. This project has been carried out at Process System

Engineering Centre (PROSPECT) at Department of Chemical Engineering from

August 2013 until January 2015, under the supervision of Dr Mohd Kamaruddin

Abd. Hamid. This work has been supported by Zamalah Universiti Teknologi

Malaysia (UTM).

I would like to give my sincerest thanks to my supervisor, Dr Mohd

Kamaruddin Abd. Hamid who has been provided all the support, help and guidance

whenever required. I am also grateful to him for this continuously guidance,

academic support and also weekly discussion that has been go through along the

journey in finishing this work.

A lot of thanks for my husband, Mohd Jufri bin Zakaria for his limitless

support and encouragement that he give to me. Futhermore, I also like to thanks my

little calliph, Muhammad Fateh Hizqil bin Mohd Jufri. Thank you for your love and

support. Importantly, I like to thanks my dad, mom, my mother in law and father in

law, Zakaria Awang, Sobil Yatu Aslamiah Junoh, Jora Kassim and Zakaria Husin for

their countless support, love and understanding during the work and thesis done. Not

to forget all of my family members for their support and doa’. Thank you.

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ABSTRACT

An integrated process design and control (IPDC) methodology has been

developed which is able to identify and obtain an optimal solution for the IPDC

problem for chemical processes in an easy, simple and efficient way. However, the

developed IPDC methodology does not consider any sustainability aspect in the

analysis. This study aims to develop a framework of computer-aided sustainable

integrated process design and control (SustainIPDC) for reactor systems. This new

framework methodology was developed in order to ensure that the process is more

economical, controllable as well as sustainable to meet the product quality

specifications. The Sustain-IPDC problem for reactor systems, typically formulated

as a generic optimization problem was solved by decomposing it into six hierarchical

stages: (i) pre-analysis, (ii) design analysis, (iii) controller design analysis, (iv)

economic analysis, (v) sustainability analysis, and (vi) final selection and

verification. Using thermodynamics and process insights, a bounded search space

was first identified. This feasible solution space was further reduced to satisfy the

process design, controller design and economic constraints in stages 2, 3 and 4,

respectively. The sustainability aspect was then analyzed in stage 5 to satisfy the

sustainability constraints, until in the final stage all feasible solutions (candidates)

were ordered according to the defined performance criteria (objective function). The

final selected design was then verified through rigorous simulations or experiments.

In the first stage, the concept of the attainable region (AR) was used to locate the

optimal solution. The target for this optimal solution was defined and selected at the

maximum point of the AR diagram. It is expected that the solution target will show

higher value of the objective function, hence verifying the optimal solution for the

SustainIPDC problem for reactor systems. In addition, the sustainability calculator

(called SustainPlus©) was also developed in this study in which the simultaneous

calculation of three sustainability indices (one-dimensional, two-dimensional, and

three-dimensional) can be performed in one single analysis. Then, the developed

methodology were verified by using two different case studies; (i) production of

cyclohexanone in a continuous-stirred tank reactor system, and (ii) biomass

production in two continuous bioreactor system. Based on two different case studies

that have been performed, the results have shown that the optimal solution in terms

of design, controller design, economic and sustainability is the best at the highest

point of the AR diagram. It also shows that the proposed SustainIPDC methodology

is able to find the optimal solution that satisfies design, controller, economics and

sustainability criteria in an easy, efficient and systematic way.

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ABSTRAK

Kaedah proses rekabentuk dan kawalan bersepadu (IPDC) telah dihasilkan

yang mana ianya mampu mengenalpasti penyelesaian yang optimum untuk masalah

IPDC bagi proses kimia dengan mudah, cekap dan sistematik. Tetapi, kaedah IPDC

yang dihasilkan tidak mengambilkira sebarang aspek kelestarian di dalam

analisisnya. Kajian ini bertujuan untuk menghasilkan satu kaedah bantuan computer

bagi proses rekabentuk dan kawalan bersepadu (menampungIPDC) bagi sistem

reaktor. Kaedah sistematik ini dihasilkan bagi memastikan bahawa proses ini adalah

lebih ekonomi, boleh dikawal dan mampan bagi memenuhi spesifikasi kualiti

produk. Masalah menampungIPDC bagi system reaktor, biasanya dirumuskan

sebagai masalah pengoptimuman generik yang diselesaikan dengan dibahagikan

kepada enam peringkat: (i) pra-analisis, (ii) analisis rekabentuk, (iii) analisis

rekabentuk pengawal, (iv) analisis ekonomi, (v) analisis kemampanan, dan (vi)

pemilihan akhir dan pengesahan. Menggunakan termodinamik dan gambaran proses,

ruang carian terbatas dikenalpasti. Ruang penyelesaian ini dikurangkan lagi untuk

memenuhi kekangan rekabentuk proses, kawalan dan ekonomi di peringkat 2, 3 dan

4. Aspek kelestarian kemudiannya dianalisis di peringkat 5 untuk memenuhi

kekangan kemampanan, sehingga di peringkat akhir semua penyelesaian (calon)

disusun mengikut kriteria prestasi tertentu (fungsi objektif). Rekabentuk terakhir

yang dipilih kemudiannya disahkan melalui simulasi atau eksperimen. Di peringkat

pertama, konsep rantau tercapai (AR) ini digunakan untuk mencari penyelesaian yang

optimum dari segi keadaan operasi. Sasaran bagi penyelesaian optimum ini

ditakrifkan dan dipilih pada titik maksimum rajah AR. Ia dijangka bahawa calon

pada titik maksimum rajah ini akan menunjukkan nilai yang lebih tinggi, oleh itu

pengesahan penyelesaian optimum bagi masalah menampungIPDC untuk sistem

reaktor. Selain itu, kalkulator kemampanan (SustainPlus©) juga dibangunkan dalam

kajian ini di mana pengiraan serentak tiga indeks kelestarian (satu-dimensi, dua-

dimensi dan tiga-dimensi) boleh dilakukan dalam satu analisis tunggal. Kemudian,

kaedah ini diuji dengan menggunakan dua kes yang berbeza; (i) penghasilan

sikloheksanon dalam sistem tangki reaktor pengacau berterusan, dan (ii) penghasilan

biomass dalam dua sistem bioreaktor berterusan. Berdasarkan dua kajian kesini,

keputusan menunjukkan bahawa penyelesaian optimum dari segi rekabentuk,

rekabentuk pengawal, ekonomi dan kemampanan adalah yang terbaik pada titik

tertinggi rajah AR. Ia menunjukkan bahawa kaedah menampungIPDC yang

dicadangkan mampu untuk mencari penyelesaian optimum yang memenuhi

rekabentuk, pengawal, ekonomi dan kemampanan kriteria dengan cara yang mudah,

cekap dan sistematik.

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TABLE OF CONTENTS

CHAPTER TITLE PAGE

DECLARATION ii

DEDICATION iii

ACKNOWLEDGEMENT iv

ABSTRACT v

ABSTRAK vi

TABLE OF CONTENTS vii

LIST OF TABLES x

LIST OF FIGURES xiii

LIST OF ABBREVIATIONS xvi

LIST OF SYMBOLS xviii

LIST OF APPENDICES xx

1 INTRODUCTION

1.1 Research Background

1.2 Problem Statement

1.3 Objectives of the Research

1.4 Scope of the Research

1.5 Significant Of the Research

1.6 Thesis Organization

1

1

3

3

4

4

5

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2 LITERATURE REVIEW

2.1 Integrated Process Design And Control

2.2 Sustainability

2.2.1 One-Dimensional Sustainability Index

2.2.2 Two-Dimensional Sustainability Index

2.2.3 Three-Dimensional Sustainability Index

2.3 Sustainable Integrated Process Design and Control

2.4 Summary

6

6

9

12

20

21

22

22

3 FRAMEWORK OF SUSTAINABLE INTEGRATED

PROCESS DESIGN AND CONTROL FOR

REACTOR SYSTEMS

3.1 Problem Formulation

3.2 Decomposition Based-Solution Strategy

3.3 Defining Optimal Design Target

3.4 Tools Integration

3.5 Algorithm of Sustainable Integrated Process Design

and Control for Reactor System

3.6 Summary

24

25

27

34

37

38

42

4 SUSTAINPLUS: A SOFTWARE IN CALCULATING

SUSTAINABILITY INDEX OF REACTOR SYSTEMS

4.1 SustainPlus Overview

4.2 SustainPlus Framework

4.3 SustainPlus Implementation

4.3.1 Starting for SustainPlus

4.3.2 Part I: Introduction

4.3.3 Part II: Problem Definition

4.3.4 Part III: Data Input

4.3.5 Par IV: Analysis

43

44

45

46

46

46

47

48

49

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4.4 SustainPlus Application

4.4.1 Cyclohexanone Reaction Process

4.5 Summary

51

51

61

5 CASE STUDY APPLICATIONS: RESULT AND

DISCUSSION

5.1 Application of the Methodology for a Single

Continuous-Stirred Tank Reactor System

5.1.1 Process Description

5.1.2 Problem Formulation

5.1.3 Decomposition-based Solution Strategy

5.2 Application of the Methodology for Retrofitting of

Two Continuous Bioreactors System Operated in

Series

5.2.1 Process Description

5.2.2 Problem Formulation

5.2.3 Decomposition-based Solution Strategy

5.3 Summary

62

62

63

63

65

75

75

76

78

90

6 CONCLUSION AND FUTURE WORK

5.1 Summary

5.2 Future Work

5.3 Publication

92

92

94

95

REFERENCES 98

Appendix A - C 102-116

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LIST OF TABLES

TABLE NO. TITLE PAGE

4.1 Feed condition for cyclohexanone production 53

5.1 Values of residence time with the corresponding

process-controlled and design-manipulated variables at

different CSTR designs

67

5.2 Economic analysis for each candidates 70

5.3 Analysis of cyclohexanone production by using

SustainPlus©

71

5.4 Analysis of cyclohexanone production (scale index) 71

5.5 Final result of multi-objective function. The best

candidate is highlighted in bold

72

5.6 Existing Design for Microbes Production 76

5.7 Values of design analysis for proposed and existing

design

79

5.8 Values of controller structure analysis for R-101 81

5.9 Economic analysis for each candidates 82

5.10 Detailed result of sustainability analysis by using

SustainPlus©

with A1s and B1s as the scale index for

each point (A1s and B1s are the scaled value of A1 and

B1)

82

5.11 Sustainability analysis for R-101 83

5.12 The percentage of the performance objective for

proposed design, A1 compared to the existing design,

B1

84

5.13 Final result of multi-objective function for R-101 84

5.14 Design analysis for second reactor 85

5.15 Values of controller structure analysis for R-201 87

5.16 Economic analysis for each candidates 88

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5.17 Detailed result of sustainability analysis by using

SustainPlus©

with A2s and Bs as the scaled index for

each point

88

5.18 Indexes of sustainability for both design of R-201 89

5.19 Sustainability comparison for the whole system 89

5.20 The percentage of the performance objective for

proposed design, A2 compared to the existing design,

B2

90

5.21 Final result of multi-objective function. The best

candidate is highlighted in bold

90

6.1 Detail Information of the Published Journal 96

A.1 Environmental metrics of atmospheric acidification

(Shadiya and High, 2012)

102

A.2 Environmental metrics of aquatic acidification (Shadiya

and High, 2012)

102

A.3 Environmental metrics of euthrophication (Shadiya and

High, 2012)

102

A.4 Environmental metrics of global warming (Shadiya and

High, 2012)

103

A.5 Environmental metrics of aquatic oxygen demand

(Shadiya and High, 2012)

103

A.6 Environmental metrics of aquatic life (Shadiya and

High, 2012)

104

A.7 Environmental metrics of ozone depletion (Shadiya and

High, 2012)

105

A.8 Environmental metrics of photochemical smog (Shadiya

and High, 2012)

106

B.1 Heat of reaction index (Shadiya and High, 2012) 108

B.2 Flammability index (Shadiya and High, 2012) 108

B.3 Corrosity index (Shadiya and High, 2012) 108

B.4 Explosivity index (Shadiya and High, 2012) 109

B.5 Toxic exposure index (Shadiya and High, 2012) 109

B.6 Temperature index (Shadiya and High, 2012) 109

B.7 Equipement safety index (Shadiya and High, 2012) 110

B.8 Safety level of process structure index (Shadiya and

High, 2012)

110

B.9 Pressure index (Shadiya and High, 2012) 110

B.10 Carcinogenic score for social index (Shadiya and High,

2012)

111

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B.11 Others type of damage in analyze health risk (Shadiya

and High, 2012)

111

C.1 Others type of damage in analyze health risk (Shadiya

and High, 2012)

112

C.2 Determination of quantity class (Vincent, 2005) 112

C.3 Determination of frequency class (Vincent, 2005) 112

C.4 Determination of hazard class chemical (Vincent, 2005) 113

C.5 Determination of hazard class environment (Vincent,

2005)

114

C.6 Relation between threshold and hazard class

environment (Vincent, 2005)

115

C.7 Determination of potential exposure class (Vincent,

2005)

116

C.8 Determination of potential chemical risk (Vincent, 2005) 116

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LIST OF FIGURES

FIGURE NO. TITLE PAGE

2.1 Workflow diagram of the IPDC methodology (Hamid,

2010)

8

2.2 Chemical processes impact towards surrounding

(Carvalho, 2009)

10

2.3 Triple bottom line of sustainability (Adams, 2006) 11

2.4 The ecological fingerprint of BASF Socio-Eco-

Efficiency metrics (Sailing, 2005)

13

2.5 Flow diagram for sustainability assessment (Martins,

2008)

15

2.6 m-SAS framework in finding the sustainable process

design (Othman, 2009)

16

2.7 Metrics used in sustainability evaluator (Shadiya and

High, 2012)

17

3.1 Sustainable integrated process design and control

methodology for reactor systems

29

3.2 Attainable Region Diagram for reactor systems

(Hamid, 2010)

30

3.3 Determination of the optimal of design control for a

reactor using the attainable region diagram (Hamid,

2011)

36

3.4 Determination of the optimal of design control for a

reactor using the attainable region diagram at different

temperatures (Hamid, 2011)

36

3.5 The tools integration framework of SustainIPDC 37

4.1 User interface for SustainPlus© for assessing

sustainability index

44

4.2 The software framework of SustainPlus©

45

4.3 Part I - Introduction in SustainPlus© tool 47

4.4 Part II - Problem definition in SustainPlus© tool 48

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4.5 Part III - Data input in SustainPlus©

49

4.6 Part IV - Analysis in SustainPlus© tool 50

4.7 Summary indexes in part IV of SustainPlus©

50

4.8 Process flow diagram of cyclohexanone production 52

4.9 Components selection interface of SustainPlus© tool 54

4.10 Reactants selection interface of SustainPlus© tool 55

4.11 Products selection interface of SustainPlus© tool 56

4.12 Reactants data input interface of SustainPlus© tool 57

4.13 Products data input interface of SustainPlus© tool 57

4.14 Water usage input interface of SustainPlus© tool 58

4.15 Energy data input interface of SustainPlus© tool 59

4.16 Others data input interface of SustainPlus© tool 59

4.17 Summary indexes for the design at the highest point of

AR diagram for the production of cyclohexanone

60

5.1 Attainable region diagram for Ca with respect to Cb at

394.26 K

66

5.2 Attainable region diagram for the desired

concentration of b with respect to reactant, Ca, and its

corresponding derivatives of Cb with respect to

disturbance Ca at feed.

68

5.3 Attainable region diagram for the desired

concentration of b with respect to reactant, Ca, and its

corresponding derivatives of Cb and hr with respect to

manipulated variable F

69

5.4 Dynamic open loop responses of desired product

concentration Cb to a ±5% step change in feed flow

rate, Ff for point A

73

5.5 Dynamic open loop responses of desired product

concentration Cb to a ±5% step change in feed flow

rate, Ff for point B

73

5.6 Dynamic open loop responses of desired product

concentration Cb to a ±5% step change in feed flow

rate, Ff for point C

74

5.7 Dynamic open loop responses of desired product

concentration Cb to a ±5% step change in feed

concentration, Ca,f for point A

74

5.8 Dynamic open loop responses of desired product

concentration Cb to a ±5% step change in feed

concentration, Ca,f for point B

74

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5.9 Dynamic open loop responses of desired product

concentration Cb to a ±5% step change in feed

concentration, Ca,f for point C

75

5.10 Process flow diagram of two continuous bioreactors

system operated in series (Vanavil, 2014)

76

5.11 Attainable region diagram of R-101 for CS1 with

respect to CX1

79

5.12 Controller structure analysis for R-101 80

5.13 Level controller structure for R-101 with set-point of

A1 and B1

81

5.14 Attainable region diagram of R-201 for CS2 with

respect to CX2

85

5.15 Sensitivity and controller structure analysis for R-201 86

5.16 Level controller proposed for controller structure

selection of R-201

87

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LIST OF ABBREVIATIONS

AIChE - American Institute of Chemical Engineers

AR - Attainable Region

ASW - Aspen Simulation Workbook

CEI - Chemical Exposure Index

CSTR - Continuous-stirred tank reactor

DS - Decision Support

EIA - Equipment and Inventory Analysis

FTA - Fault Tree Assessment

HAZOP - Hazard and Operability

HAZOPExpert - Software in HAZOP Analysis

IChemE - Institution of Chemical Engineers

IPDC - Integrated Process Design and Process Control

LCA - Life Cycle Analysis/Assessment

MINLP - Mixed Integer Non-Linear Programming

MIDO - Mixed Integer Dynamic Optimization

m-SAS - Modular-based Sustainability Assessment and Selection

NPEI - Net Potential Economic Impact

NPV - Net Present Value

ROR - Rate of Return

SA - Sustainability Analysis

SustainIPDC - Sustainable Integrated Process Design and Process Control

SustainPlus - Sustainability Calculator

SustainPRO - Sustainability Tool in retrofitting the chemical processes

WAR - Waste Reduction

WBCSD - World Business Council for Sustainable Development

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1D - One-Dimension

2D - Two-Dimension

3D - Three-Dimension

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LIST OF SYMBOLS

A - Area

CS - Controller structure

d - Disturbance variables

dy/dd - Sensitivity of controlled variable respect to disturbance

dy/du - Sensitivity of controlled variable respect to manipulated

𝐺 - Set of independent variables

i - Category of objective function

j - Specific term of each category

J - Multi-objective function

T - Temperature

u - Manipulated design variables

v - Set of chemical system variables

x - Set of process state variables

y - Set of controlled variable

Y - Set of binary decison variables

θ - Set of constitutive variables

Ca,f - Feed concentration of component a

Cb,f - Feed concentration of component b

Cc,f - Feed concentration of component c

Cd,f - Feed concentration of component d

CD - Cost of depreciation per year

Ff - Feed flowrate

hr - Reactor height

𝐼1 - Income of the product

𝐼2 - Cost of raw material

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k1 - Kinetic Rate

Pi,j - Objective term

Pricei - Price of product i ($/kg)

Pricej - Price of raw material j ($/kg)

Prodi - Draw rate of product i (kg/year)

Prodj - Feed of rate of raw material j (kg/year)

P1 - Process design objective

P2,1 - Sensitivity of dy/dd objective

P2,2 - Sensitivity of dy/du objective

P3 - Profit function objective

P4 - Sustainability objective

Ra - Rate law of component a

𝑇𝑚𝑖𝑛 - Minimum temperature

𝑇𝑚𝑎𝑥 - Maximum temperature

VR - Reactor Volume

wi,j - Weight factor af each objective term

xi - Mole fraction of feed component i

Tbi - Boiling point temperature

Tmi - Melting point temperature

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LIST OF APPENDICES

APPENDIX TITLE PAGE

A One-dimensional Sustainability Index of

Environmental Metrics

102

B One-dimensional Sustainability Index of Social Metrics 108

C Three-dimensional Sustainability Index 112

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CHAPTER 1

INTRODUCTION

1.1 Research Background

Chemical processes have been traditionally designed by a sequential

approach consisting of initial process design, which is based on steady state

economic calculations followed by the synthesis of a controller structure that is

generally based on heuristic controllability measures. Thus, the process design and

process control aspects have been generally studied independently. This traditional

sequential design approach is often inadequate since the process design can

significantly affect the process control of the systems (Malcom et al., 2007). Another

drawback has to do with how process design decisions influence the controllability

of the process to assure that design decisions give the optimum economic and the

best control performance, controller design issues need to be considered

simultaneously with the process design issues (Miranda et al., 2008). The research

area of combining process design and controller design considerations is referred

here as integrated process design and controller design (IPDC).

Integrated Process Design and Control (IPDC) methodology was developed

which is able to identify and obtain an optimal solution for the IPDC problem for

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chemical processes in an easy, simple and efficient way (Hamid, 2011). However,

the developed methodology for the IPDC did not consider sustainability aspect in the

early chemical processes design stage. Designing controllable and also sustainable

process is one of the key challenges for sustainable development of chemical

processes. Chemical process design can be further improved by including

sustainability aspect within the developed IPDC method to ensure that the design is

more cost efficient and controllable, as well as sustainable to meet product quality

specifications. This can be achieved by extending the developed model-based IPDC

method encompasses sustainability aspect.

Sustainability is based on balancing three principal objectives: environmental

protection, economic growth, and societal equity. Metrics and indicators are used to

assess the sustainability performance of a process or a system, to evaluate the

progress toward enhancing sustainability, and to assist decision makers in evaluating

alternatives. There are one-dimensional (1D), two-dimensional (2D) and three-

dimensional (3D) sustainability indices that will be used in this study. In order to

make it more easily in measuring the sustainability in chemical processes, a new

computer-aided tool that combined all three dimension of sustainability index has

been successfully developed.

Solving IPDC problem together with the sustainability criteria may cause

complexity in the optimization problem. To obtain solutions for this problem will

require a huge computational effort which makes this approach impractical for

solving real industrial problems. In order to overcome the complexity of the Sustain-

IPDC problem and obtain an achievable optimal solution, a decomposition approach

is used in this study. The decomposition approach has been applied in managing and

solving the complexity of different optimization problems in chemical engineering

(Hamid, 2011). The basic idea is that in optimization problems with constraints, the

search space is defined by the constraints within which all feasible solutions lie and

the objective function helps to identify one or more of the optimal solutions. The

constraint equations are solved in a pre-determined sequence such that after every

sequential sub-problem, the search space for feasible solutions is reduced and a sub-

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set of decision variables are fixed. When all the constraints are satisfied, it remains to

calculate the objective function for all the identified feasible solutions to locate the

optimal solution. In this study, the decomposition solution strategy has been adopted

to develop a new framework of model-based methodology for solving Sustain-IPDC

problem.

1.2 Problem Statement

Previously, IPDC methodology was developed which is able to identify and

obtain an optimal solution for the IPDC problem for reactor systems in an easy,

simple and efficient way (Hamid, 2011). However, the developed methodology for

the IPDC did not consider sustainability aspect. Designing controllable and also

sustainable process is one of the key challenges for sustainable development of

reactor systems since reactor is the hard part of the chemical design before any other

parts of the design. Reactor system process design can be further improved by

including sustainability aspect within the developed IPDC method to ensure that the

design is more cost efficient and controllable, as well as sustainable to meet product

quality specifications. This can be achieved by extending the developed model-based

IPDC method for reactor systems encompass sustainability aspect.

1.3 Objectives of the Study

The objective for this study is to develop a new framework of model-based

methodology, which is able to identify and obtain an optimal solution for the

Sustain-IPDC problem for reactor systems.

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1.4 Scope of the Study

In order to achieve the abovementioned objective, several scopes have been

planned:

1. Developing a new model-based methodology for Sustain-IPDC for reactor

systems.

2. Developing a sustainability calculator called SustainPlus©

for reactor systems

that simultaneously calculate three sustainability indexes (1D, 2D, 3D) in one

single analysis.

3. Integrating different available tools in every single stage (such as Microsoft

excel, Aspen HYSYS and MATLAB) in the proposed Sustain-IPDC

methodology.

4. Testing the performance of the proposed Sustain-IPDC methodology in

solving complex reactor system problems.

1.5 Significant of the Study

The significant of this study is that the proposed methodology allows the

process engineer in finding the optimal solution for a Sustain-IPDC problem for

reactor systems in a systematic, efficient and fast. In addition, the proposed

methodology can be used not only for industrial purpose but also for academic

purpose.

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1.6 Thesis Organization

The thesis is organized into six chapters which are (1) introduction, (2)

literature review, (3) sustainable integrated process design and control methodology

for reactor systems, (4) SustainPlus©: a software for calculating sustainability index

of reactor systems, (5) result and discussion, and (6) conclusion and

recommendation. In Chapter one, the background of research, problem statement,

research objectives, research scopes, significant of the research are presented. Then,

in Chapter two, the literature review on the previous research activities is discussed

in more details, which includes the development of the IPDC methodology,

sustainability indices that have been measured by the previous researchers and the

IPDC methodology upgrading. The methodology development for the Sustain-IPDC

is detailed out in Chapter three which consists of problem formulation and the

decomposition-based solution strategy. In addition, the SustainPlus© software, a

computer-aided tool used to calculate the sustainability index is discussed in Chapter

four, which includes the overview, framework, implementation and application of the

tool. In Chapter five, there are two case studies are presented to test the performance

of Sustain-IPDC methodology with the help of the developed SustainPlus© tool; the

design of the single reactor system and the retrofitting of two reactors system.

Finally, the conclusion and recommendation of the research are presented in Chapter

six.

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