Chemical reaction kinetics: concepts, methods, and case studies
Saved in:
| Main Author: | |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Hoboken, NJ
Wiley
2017
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| Subjects: | |
| Online Access: | FRO01 TUM01 UBG01 UBR01 UBT01 Volltext Inhaltsverzeichnis |
| Physical Description: | 1 Online-Ressource (xiv, 287 Seiten) Illustrationen, Diagramme |
| ISBN: | 9781119226666 9781119226659 9781119227007 |
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Record in the Search Index
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| adam_text | Titel: Chemical reaction kinetics
Autor: Ancheyta, Jorge
Jahr: 2017
Contents
About the Author xi
Preface xiii
1 Fundamentals of Chemical Reaction Kinetics 1
1.1 Concepts of Stoichiometry 1
1.1.1 Stoichiometric Number and Coefficient I
1.1.2 Molecularity 2
1.1.3 Reaction Extent 3
1.1.4 Molar Conversión 4
1.1.5 Types of Feed Composition in a Chemical Reaction 5
1.1.6 Limiting Reactant 6
1.1.7 Molar Balance in a Chemical Reaction 7
1.1.8 Relationship between Conversión 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
Conversión (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
Contents
1.3,2.2 Units of kc and kp 27
1.3.3 Elemental and Non-elemental Reactions 29
1.3.4 Comments on the Concepts of Molecularity and Reaction
Order 30
1.3.5 Dependency of k with Temperature 30
1.3.5.1 Arrhenius Equation 30
1.3.5.2 Frequency Factor and Activation Energy 32
1.3.5.3 Evaluation of the Parameters of the Arrhenius Equation 32
1.3.5.4 Modified Arrhenius Equation 42
1.4 Description of Ideal Reactors 43
1.4.1 Batch Reactors 43
1.4.1.1 Modes of Operation 44
1.4.1.2 Data Collection 46
1.4.1.3 Mass Balance 48
1.4.2 Continuous Reactors 49
1.4.2.1 Space-Time and Space-Velocity 50
1.4.2.2 Plug Flow Reactor 50
1.4.2.3 Continuous Stirred Tank Reactor 52
2 Irreversible Reactions of One Component 55
2.1 Integral Method 56
2.1.1 Reactions of Zero Order 58
2.1.2 Reactions of the First Order 59
2.1.3 Reaction of the Second Order 61
2.1.4 Reactions of the n0* Order 64
2.2 Differential Method 69
2.2.1 Numerical Differentiation 71
2.2.1.1 Method of Approaching the Derivatives (~dCA/dt) to (ACA/At)
or (dxA/dt) to (AxA/At) 71
2.2.1.2 Method of Finite Differences 72
2.2.1.3 Method of a Polynomial of the n 1 Order 74
2.2.2 Graphical Differentiation 74
2.2.2.1 Method of Area Compensation 74
2.2.2.2 Method of Approaching the Derivative (-dCA/dt) to
(AQ/Ai) 76
2.2.2.3 Method of Finite Differences 77
2.2.2.4 Method of a Polynomial of the Order 78
2.2.2.5 Method of Area Compensation 80
2.2.2.6 Summary of Results 82
2.3 Method of Total Pressure 83
2.3.1 Reactions of Zero Order 84
2.3.2 Reactions of the First Order 85
2.3.3 Reactions of the Second Order 85
2.3.4 Reactions of the nA 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 «th Order 93
2.4.5 Direct Method to Calcúlate k and n with Data of i1/2 95
2.4.6 Extension of the Method of Half-Life Time (i1/2) to Any
Fractional Life Time (tVm) 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 tV2 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 I Contents
5.2.1.1 Case 1: Reactions with Only One Reactant 155
5.2.1.2 Case 2: Reactions with Two Reactants 161
5.2.2 Simultaneous Reactions with Combined Orders 163
5.2.2.1 Integral Method 165
5.2.2.2 Differential Method 166
5.3 Consecutive or In-Series Irreversible Reactions 167
5.3.1 Consecutive Reactions with the Same Order 167
5.3.1.1 Calculation of CRmax and t* 171
5.3.1.2 Calculation of CRmax and t* for ky= k2 172
5.3.2 Consecutive Reactions with Combined Orders 174
6 Special Topics in Kinetic Modelling 179
6.1 Data Reconciliation 180
6.1.1 Data Reconciliation Method 181
6.1.2 Results and Discussion 182
6.1.2.1 SourceofData 182
6.1.2.2 Global Mass Balances 185
6.1.2.3 Outlier Determination 187
6.1.2.4 Data Reconciliation 187
6.1.2.5 Analysis of Results 189
6.1.3 Conclusions 195
6.2 Methodology for Sensitivity Analysis of Parameters 196
6.2.1 Description of the Method 198
6.2.1.1 Initialization of Parameters 199
6.2.1.2 Non-linear Parameter Estimation 201
6.2.1.3 Sensitivity Analysis 201
6.2.1.4 Residual Analysis 202
6.2.2 Results and Discussion 202
6.2.2.1 Experimental Data and the Reaction Rate Model from the
Literature 202
6.2.2.2 Initialization of Parameters 204
6.2.2.3 Results of Non-linear Estimation 206
6.2.2.4 Sensitivity Analysis 207
6.2.2.5 Analysis of Residuais 210
6.2.3 Conclusions 210
6.3 Methods for Determining Rate Coefflcients in Enzymatic
Catalysed Reactions 211
6.3.1 The Michaelis-Menten Model 213
6.3.1.1 Origin 213
6.3.1.2 Development of the Model 213
6.3.1.3 Importance of Vmax and Km 214
6.3.2 Methods to Determine the Rate Coefflcients of the
Michaelis-Menten Equation 214
Contents ¡x
6.3.2.1 Linear Regression 214
6.3.2.2 Graphic 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
6.4.2.4 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 Effert of Feed Properties on Kinetic Parameters 240
6.5.4 Conclusions 241
Problems 243
Nomenclatura 273
References 277
Index 283
|
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| spelling | Ancheyta Juárez, Jorge 1965- Verfasser (DE-588)1139454986 aut Chemical reaction kinetics concepts, methods, and case studies Jorge Ancheyta Hoboken, NJ Wiley 2017 1 Online-Ressource (xiv, 287 Seiten) Illustrationen, Diagramme txt rdacontent c rdamedia cr 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 Druck-Ausgabe 978-1-119-22664-2 https://onlinelibrary.wiley.com/doi/book/10.1002/9781119226666 Verlag URL des Erstveröffentlichers Volltext HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029827134&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| 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 |
| title_fullStr | Chemical reaction kinetics concepts, methods, and case studies Jorge Ancheyta |
| title_full_unstemmed | Chemical reaction kinetics concepts, methods, and case studies Jorge Ancheyta |
| 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 |
| url | https://onlinelibrary.wiley.com/doi/book/10.1002/9781119226666 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029827134&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT ancheytajuarezjorge chemicalreactionkineticsconceptsmethodsandcasestudies |