Chemical reaction kinetics: concepts, methods and case studies
Gespeichert in:
| 1. Verfasser: | |
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| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Hoboken, NJ
Wiley
2017
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis Klappentext |
| Beschreibung: | xiv, 287 Seiten Illustrationen, Diagramme |
Internformat
MARC
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| 245 | 1 | 0 | |a Chemical reaction kinetics |b concepts, methods and case studies |c Jorge Ancheyta, Instituto Mexicano del Petróleo, Mexico City, Mexico |
| 264 | 1 | |a Hoboken, NJ |b Wiley |c 2017 | |
| 300 | |a xiv, 287 Seiten |b Illustrationen, Diagramme | ||
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| 338 | |b nc |2 rdacarrier | ||
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Datensatz im Suchindex
| _version_ | 1804177963184291840 |
|---|---|
| adam_text | Contents
About the Author xl
Preface xiii
1 Fundamentals of Chemical Reaction Kinetics 1
1.1 Concepts of Stoichiometry 1
1.1.1 Stoichiometric Number and Coefficient 1
1.1.2 Molecularity 2
1.1.3 Reaction Extent 3
1.1.4 Molar Conversion 4
1.1.5 Types of Feed Composition in a Chemical Reaction 5
IT.6 Limiting Reactant 6
IT.7 Molar Balance in a Chemical Reaction 7
IT.8 Relationship between Conversion and Physical Properties of the
Reacting System 8
1.2 Reacting Systems 11
1.2.1 Mole Fraction, Weight Fraction and Molar Concentration 11
1.2.2 Partial Pressure 13
1.2.3 Isothermal Systems at Constant Density 13
1.2.3.1 Relationship between Partial Pressure (pA) and
Conversion (xA) 16
1.2.3.2 Relationship between Partial Pressure (pA) and Total
Pressure (P) 16
1.2.3.3 Relationship between Molar Concentration (CA) and Total
Pressure (P) 16
1.2.4 Isothermal Systems at Variable Density 18
1.2.5 General Case of Reacting Systems 22
1.2.6 Kinetic Point of View of the Chemical Equilibrium 22
1.3 Concepts of Chemical Kinetics 24
1.3.1 Rate of Homogeneous Reactions 24
1.3.2 Power Law 26
1.3.2.1 Relationship between kp and kc 27
vi
Contents
13.2,2
133
1.3.4
1.3.5
1.3.5.1
1.3.5.2
1.3.5.3
1.3.5.4
1.4
1.4.1
1.4.1.1
1.4.1.2
1.4.1.3
1.4.2
1.4.2.1
1.4.2.2
1.4.2.3
2
2.1
2.1.1
2.1.2
2.1.3
2.1.4
2.2
2.2.1
2.2.1.1
2.2.1.2
2.2.1.3
2.2.2
2.2.2.1
2.2.2.2
2.2.2.3
2.2.2.4
2.2.2.5
2.2.2.6
2.3
2.3.1
2.3.2
2.3.3
2.3.4
Units of kc and kp 27
Elemental and Non-elemental Reactions 29
Comments on the Concepts of Molecularity and Reaction
Order 30
Dependency of k with Temperature 30
Arrhenius Equation 30
Frequency Factor and Activation Energy 32
Evaluation of the Parameters of the Arrhenius Equation 32
Modified Arrhenius Equation 42
Description of Ideal Reactors 43
Batch Reactors 43
Modes of Operation 44
Data Collection 46
Mass Balance 48
Continuous Reactors 49
Space—Time and Space—Velocity SO
Plug Flow Reactor 50
Continuous Stirred Tank Reactor 52
Irreversible Reactions of One Component 55
Integral Method 56
Reactions of Zero Order 58
Reactions of the First Order 59
Reaction of the Second Order 61
Reactions of the nth Order 64
Differential Method 69
Numerical Differentiation 71
Method of Approaching the Derivatives (-dCA/dt) to {ACA/At)
or (,dxA/dt) to (Axa/A t) 71
Method of Finite Differences 72
Method of a Polynomial of the nth Order 74
Graphical Differentiation 74
Method of Area Compensation 74
Method of Approaching the Derivative (-dCA/dt) to
(ACA/At) 76
Method of Finite Differences 77
Method of a Polynomial of the nth Order 78
Method of Area Compensation 80
Summary of Results 82
Method of Total Pressure 83
Reactions of Zero Order 84
Reactions of the First Order 85
Reactions of the Second Order 85
Reactions of the nth Order 86
Contents
vii
2.3.5 Differential Method with Data of Total Pressure 88
2.4 Method of the Half-Life Time 91
2.4.1 Reactions of Zero Order 92
2.4.2 Reactions of the First Order 92
2.4.3 Reaction of the Second Order 93
2.4.4 Reaction of the nth Order 93
2.4.5 Direct Method to Calculate k and n with Data of t1/2 95
2.4.6 Extension of the Method of Half-Life Time (t1/2) to Any
Fractional Life Time (t1/ni) 97
2.4.7 Calculation of Activation Energy with Data of Half-Life
Time 97
2.4.8 Some Observations of the Method of Half-Life Time 99
2.4.8.1 Calculation of n with Two Data of i1/2 Measured with
Different CAo 99
2.4.8.2 Generalization of the Method of Half-Life Time for Any
Reaction Order 101
3 Irreversible Reactions with Two or Three Components 103
3.1 Irreversible Reactions with Two Components 103
3.1.1 Integral Method 103
3.1.1.1 Method of Stoichiometric Feed Composition 104
3.1.1.2 Method of Non-stoichiometric Feed Composition 109
3.1.1.3 Method of a Reactant in Excess 117
3.1.2 Differential Method 120
3.1.2.1 Stoichiometric Feed Composition 120
3.1.2.2 Feed Composition with a Reactant in Excess 120
3.1.2.3 Non-stoichiometric Feed Compositions 121
3.1.3 Method of Initial Reaction Rates 123
3.2 Irreversible Reactions between Three Components 127
3.2.1 Case 1: Stoichiometric Feed Composition 127
3.2.2 Case 2: Non-stoichiometric Feed Composition 129
3.2.3 Case 3: Feed Composition with One Reactant in Excess 130
3.2.4 Case 4: Feed Composition with Two Reactants in Excess 131
4 Reversible Reactions 135
4.1 Reversible Reactions of First Order 135
4.2 Reversible Reactions of Second Order 139
4.3 Reversible Reactions with Combined Orders 146
5 Complex Reactions 153
5.1 Yield and Selectivity 153
5.2 Simultaneous or Parallel Irreversible Reactions 155
5.2.1 Simultaneous Reactions with the Same Order 155
viii
Contents
5.2.1.1
5.2.1.2
5.2.2
5.2.2.1
5.2.2.2
5.3
5.3.1
5.3.1.1
5.3.1.2
5.3.2
6
6.1
6.1.1
6.1.2
6.1.2.1
6.1.2.2
6.1.2.3
6.1.2.4
6.1.2.5
6.1.3
6.2
6.2.1
6.2.1.1
6.2.1.2
6.2.1.3
6.2.1.4
6.2.2
6.2.2.1
6.2.2.2
6.2.2.3
Ô.2.2.4
6.2.2.5
6.2.3
6.3
6.3.1
6.3.1.1
6.3.1.2
6.3.1.3
6.3.2
Case 1: Reactions with Only One Reactant 155
Case 2: Reactions with Two Reactants 161
Simultaneous Reactions with Combined Orders 163
Integral Method 165
Differential Method 166
Consecutive or In-Series Irreversible Reactions 167
Consecutive Reactions with the Same Order 167
Calculation of CRmax and t* 171
Calculation of CRmax and t* for kx = k2 172
Consecutive Reactions with Combined Orders 174
Special Topics in Kinetic Modelling 179
Data Reconciliation 180
Data Reconciliation Method 181
Results and Discussion 182
Source of Data 182
Global Mass Balances 185
Outlier Determination 187
Data Reconciliation 187
Analysis of Results 189
Conclusions 195
Methodology for Sensitivity Analysis of Parameters 196
Description of the Method 198
Initialization of Parameters 199
Non-linear Parameter Estimation 201
Sensitivity Analysis 201
Residual Analysis 202
Results and Discussion 202
Experimental Data and the Reaction Rate Model from the
Literature 202
Initialization of Parameters 204
Results of Non-linear Estimation 206
Sensitivity Analysis 207
Analysis of Residuals 210
Conclusions 210
Methods for Determining Rate Coefficients in Enzymatic
Catalysed Reactions 211
The Michaelis-Menten Model 213
Origin 213
Development of the Model 213
Importance of Vmax and 214
Methods to Determine the Rate Coefficients of the
Michaelis—Menten Equation 214
Contents
ix
6.3.2.1 Linear Regression 214
6.3.2.2 Graphie Method 215
6.3.2.3 Integral Method 215
6.3.2.4 Non-linear Regression 216
6.3.3 Application of the Methods 217
6.3.3.1 Experimental Data 217
6.3.3.2 Calculation of Kinetic Parameters 220
6.3.4 Discussion of Results 222
6.3.5 Conclusions 225
6.4 A Simple Method for Estimating Gasoline, Gas and Coke Yields
in FCC Processes 226
6.4.1 Introduction 226
6.4.2 Methodology 227
6.4.2.1 Choosing the Kinetic Models 227
6.4.2.2 Reaction Kinetics 228
6.4.2.3 Estimation of Kinetic Parameters 229
6A.2A Evaluation of Products Yields 230
6.4.2.5 Advantages and Limitations of the Methodology 230
6.4.3 Results and Discussion 231
6.4.4 Conclusions 234
6.5 Estimation of Activation Energies during Hydrodesulphurization
of Middle Distillates 234
6.5.1 Introduction 234
6.5.2 Experiments 235
6.5.3 Results and Discussion 236
6.5.3.1 Experimental Results 236
6.5.3.2 Estimation of Kinetic Parameters 237
6.5.3.3 Effect of Feed Properties on Kinetic Parameters 240
6.5.4 Conclusions 241
Problems 243
Nomenclature 273
References 277
Index 283
CHEMICAL REACTION
KINETICS
ft
Concepts, Methods and Case Studies
A practical approach to chemical reaction kinetics—from basic concepts to
laboratory methods—featuring numerous real-world examples and case studies.
This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical
methods for analyzing experimental data and interpreting results. It describes basic concepts
of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that
affect reaction rates, and ideal reactor performance. Mathematical methods for determining
reaction kinetic parameters are described in detail with the help of real-world examples and
fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified.
The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics,
and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction
kinetics; methods for studying irreversible reactions with one, two and three components;
reversible reactions; and complex reactions. In the concluding chapters th£ author addresses
reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of
industrial reaction kinetics. Throughout the book industrial case studies are presented with
step-by-step solutions, and further problems are provided at the end of each chapter.
• Takes a practical approach to chemical reaction kinetics, basic concepts and methods
• Features numerous illustrative case studies based on the author s extensive experience
in the industry
• Provides essential information for chemical and process engineers, catalysis researchers,
and professionals involved in developing kinetic models
• Functions as a student textbook on the basic principles of chemical kinetics for
homogeneous catalysis
• Describes mathematical methods to determine reaction kinetic parameters with the help
of industrial case studies, examples, and step-by-step solutions
Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists,
engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation,
catalyst evaluation, process development, reactor modeling, and process simulation. It is also an
ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous
catalysis, chemical reaction engineering, petrochemical engineering, and biotechnology.
Jorge Ancheyta, is Manager of Products for Transformation of the Crude Oil at the Mexican
Petroleum Institute (IMP). He also has been a Professor in the School of Chemical Engineering
and Extractive Industries at the National Polytechnic Institute of Mexico (ESIQIE-IPN) since 1992.
Dr. Ancheyta works on the development and application of petroleum refining catalysts, kinetic
and reactor models, and process technologies mainly in catalytic cracking, catalytic reforming,
middle distillate hydrotreating and heavy oils upgrading.
Cover Design: Wiley
Cover Image: © alexaldo/Gettyimages
www.wiley.com
W ¥ LJ1 F7} Also available
▼ T I I______________ L-f I as an e-book
9
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| spelling | Ancheyta Juárez, Jorge 1965- Verfasser (DE-588)1139454986 aut Chemical reaction kinetics concepts, methods and case studies Jorge Ancheyta, Instituto Mexicano del Petróleo, Mexico City, Mexico Hoboken, NJ Wiley 2017 xiv, 287 Seiten Illustrationen, Diagramme txt rdacontent n rdamedia nc rdacarrier Chemical kinetics / fast / (OCoLC)fst00853025 Chemical reactions / fast / (OCoLC)fst00853176 SCIENCE / Chemistry / Physical & Theoretical / bisacsh Chemical kinetics Chemical reactions Reaktionskinetik (DE-588)4048655-2 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 s DE-604 Erscheint auch als Online-Ausgabe, Adobe PDF 978-1-119-22665-9 Erscheint auch als Online-Ausgabe, ePub 978-1-119-22700-7 Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029989615&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029989615&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext |
| spellingShingle | Ancheyta Juárez, Jorge 1965- Chemical reaction kinetics concepts, methods and case studies Chemical kinetics / fast / (OCoLC)fst00853025 Chemical reactions / fast / (OCoLC)fst00853176 SCIENCE / Chemistry / Physical & Theoretical / bisacsh Chemical kinetics Chemical reactions Reaktionskinetik (DE-588)4048655-2 gnd |
| subject_GND | (DE-588)4048655-2 |
| title | Chemical reaction kinetics concepts, methods and case studies |
| title_auth | Chemical reaction kinetics concepts, methods and case studies |
| title_exact_search | Chemical reaction kinetics concepts, methods and case studies |
| title_full | Chemical reaction kinetics concepts, methods and case studies Jorge Ancheyta, Instituto Mexicano del Petróleo, Mexico City, Mexico |
| title_fullStr | Chemical reaction kinetics concepts, methods and case studies Jorge Ancheyta, Instituto Mexicano del Petróleo, Mexico City, Mexico |
| title_full_unstemmed | Chemical reaction kinetics concepts, methods and case studies Jorge Ancheyta, Instituto Mexicano del Petróleo, Mexico City, Mexico |
| title_short | Chemical reaction kinetics |
| title_sort | chemical reaction kinetics concepts methods and case studies |
| title_sub | concepts, methods and case studies |
| topic | Chemical kinetics / fast / (OCoLC)fst00853025 Chemical reactions / fast / (OCoLC)fst00853176 SCIENCE / Chemistry / Physical & Theoretical / bisacsh Chemical kinetics Chemical reactions Reaktionskinetik (DE-588)4048655-2 gnd |
| topic_facet | Chemical kinetics / fast / (OCoLC)fst00853025 Chemical reactions / fast / (OCoLC)fst00853176 SCIENCE / Chemistry / Physical & Theoretical / bisacsh Chemical kinetics Chemical reactions Reaktionskinetik |
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