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El. knyga: Chemical Reaction Kinetics: Concepts, Methods and Case Studies

(Mexican Institute of Petroleum, Mexico City)
  • Formatas: EPUB+DRM
  • Išleidimo metai: 07-Jun-2017
  • Leidėjas: John Wiley & Sons Inc
  • Kalba: eng
  • ISBN-13: 9781119227007
Kitos knygos pagal šią temą:
Chemical Reaction Kinetics: Concepts, Methods and Case StudiesDidesnis paveikslėlis
  • Formatas: EPUB+DRM
  • Išleidimo metai: 07-Jun-2017
  • Leidėjas: John Wiley & Sons Inc
  • Kalba: eng
  • ISBN-13: 9781119227007
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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 the 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, and petrochemical engineering, biotechnology.

About the Author xi
Preface xiii
1 Fundamentals of Chemical Reaction Kinetics 1(54)
1.1 Concepts of Stoichiometry
1(10)
1.1.1 Stoichiometric Number and Coefficient
1(1)
1.1.2 Molecularity
2(1)
1.1.3 Reaction Extent
3(1)
1.1.4 Molar Conversion
4(1)
1.1.5 Types of Feed Composition in a Chemical Reaction
5(1)
1.1.6 Limiting Reactant
6(1)
1.1.7 Molar Balance in a Chemical Reaction
7(1)
1.1.8 Relationship between Conversion and Physical Properties of the Reacting System
8(3)
1.2 Reacting Systems
11(13)
1.2.1 Mole Fraction, Weight Fraction and Molar Concentration
11(2)
1.2.2 Partial Pressure
13(1)
1.2.3 Isothermal Systems at Constant Density
13(5)
1.2.3.1 Relationship between Partial Pressure (pA) and Conversion (xA)
16(1)
1.2.3.2 Relationship between Partial Pressure (pa) and Total Pressure (P)
16(1)
1.2.3.3 Relationship between Molar Concentration (CA) and Total Pressure (P)
16(2)
1.2.4 Isothermal Systems at Variable Density
18(4)
1.2.5 General Case of Reacting Systems
22(1)
1.2.6 Kinetic Point of View of the Chemical Equilibrium
22(2)
1.3 Concepts of Chemical Kinetics
24(19)
1.3.1 Rate of Homogeneous Reactions
24(2)
1.3.2 Power Law
26(3)
1.3.2.1 Relationship between kp and kc
27(1)
1.3.2.2 Units of kc and kp
27(2)
1.3.3 Elemental and Non-elemental Reactions
29(1)
1.3.4 Comments on the Concepts of Molecularity and Reaction Order
30(1)
1.3.5 Dependency of k with Temperature
30(13)
1.3.5.1 Arrhenius Equation
30(2)
1.3.5.2 Frequency Factor and Activation Energy
32(1)
1.3.5.3 Evaluation of the Parameters of the Arrhenius Equation
32(10)
1.3.5.4 Modified Arrhenius Equation
42(1)
1.4 Description of Ideal Reactors
43(12)
1.4.1 Batch Reactors
43(6)
1.4.1.1 Modes of Operation
44(2)
1.4.1.2 Data Collection
46(2)
1.4.1.3 Mass Balance
48(1)
1.4.2 Continuous Reactors
49(7)
1.4.2.1 Space-Time and Space-Velocity
50(1)
1.4.2.2 Plug Flow Reactor
50(2)
1.4.2.3 Continuous Stirred Tank Reactor
52(3)
2 Irreversible Reactions of One Component 55(48)
2.1 Integral Method
56(13)
2.1.1 Reactions of Zero Order
58(1)
2.1.2 Reactions of the First Order
59(2)
2.1.3 Reaction of the Second Order
61(3)
2.1.4 Reactions of the nth Order
64(5)
2.2 Differential Method
69(34)
2.2.1 Numerical Differentiation
71(3)
2.2.1.1 Method of Approaching the Derivatives (-dCA/dt) to (delta CA/Delta t) or (dxA/dt) to (deltaxA/deltat)
71(1)
2.2.1.2 Method of Finite Differences
72(2)
2.2.1.3 Method of a Polynomial of the nth Order
74(1)
2.2.2 Graphical Differentiation
74(9)
2.2.2.1 Method of Area Compensation
74(2)
2.2.2.2 Method of Approaching the Derivative (-dCA/dt) to (delta CA/delta t)
76(1)
2.2.2.3 Method of Finite Differences
77(1)
2.2.2.4 Method of a Polynomial of the nth Order
78(2)
2.2.2.5 Method of Area Compensation
80(2)
2.2.2.6 Summary of Results
82(1)
2.3 Method of Total Pressure
83(8)
2.3.1 Reactions of Zero Order
84(1)
2.3.2 Reactions of the First Order
85(1)
2.3.3 Reactions of the Second Order
85(1)
2.3.4 Reactions of the nth Order
86(2)
2.3.5 Differential Method with Data of Total Pressure
88(3)
2.4 Method of the Half-Life Time
91(12)
2.4.1 Reactions of Zero Order
92(1)
2.4.2 Reactions of the First Order
92(1)
2.4.3 Reaction of the Second Order
93(1)
2.4.4 Reaction of the nth Order
93(2)
2.4.5 Direct Method to Calculate k and n with Data of t1/2
95(2)
2.4.6 Extension of the Method of Half-Life Time (t1/2) to Any Fractional Life Time (t1/m)
97(1)
2.4.7 Calculation of Activation Energy with Data of Half-Life Time
97(2)
2.4.8 Some Observations of the Method of Half-Life Time
99(4)
2.4.8.1 Calculation of n with Two Data of t1/2 Measured with Different CAo
99(2)
2.4.8.2 Generalization of the Method of Half-Life Time for Any Reaction Order
101(2)
3 Irreversible Reactions with Two or Three Components 103(32)
3.1 Irreversible Reactions with Two Components
103(24)
3.1.1 Integral Method
103(17)
3.1.1.1 Method of Stoichiometric Feed Composition
104(5)
3.1.1.2 Method of Non-stoichiometric Feed Composition
109(8)
3.1.1.3 Method of a Reactant in Excess
117(3)
3.1.2 Differential Method
120(3)
3.1.2.1 Stoichiometric Feed Composition
120(1)
3.1.2.2 Feed Composition with a Reactant in Excess
120(1)
3.1.2.3 Non-stoichiometric Feed Compositions
121(2)
3.1.3 Method of Initial Reaction Rates
123(4)
3.2 Irreversible Reactions between Three Components
127(8)
3.2.1 Case 1: Stoichiometric Feed Composition
127(2)
3.2.2 Case 2: Non-stoichiometric Feed Composition
129(1)
3.2.3 Case 3: Feed Composition with One Reactant in Excess
130(1)
3.2.4 Case 4: Feed Composition with Two Reactants in Excess
131(4)
4 Reversible Reactions 135(18)
4.1 Reversible Reactions of First Order
135(4)
4.2 Reversible Reactions of Second Order
139(7)
4.3 Reversible Reactions with Combined Orders
146(7)
5 Complex Reactions 153(26)
5.1 Yield and Selectivity
153(2)
5.2 Simultaneous or Parallel Irreversible Reactions
155(12)
5.2.1 Simultaneous Reactions with the Same Order
155(8)
5.2.1.1 Case 1: Reactions with Only One Reactant
155(6)
5.2.1.2 Case 2: Reactions with Two Reactants
161(2)
5.2.2 Simultaneous Reactions with Combined Orders
163(4)
5.2.2.1 Integral Method
165(1)
5.2.2.2 Differential Method
166(1)
5.3 Consecutive or In-Series Irreversible Reactions
167(12)
5.3.1 Consecutive Reactions with the Same Order
167(7)
5.3.1.1 Calculation of CRmax and t*
171(1)
5.3.1.2 Calculation of CRmax and t* for k1= k2
172(2)
5.3.2 Consecutive Reactions with Combined Orders
174(5)
6 Special Topics in Kinetic Modelling 179(64)
6.1 Data Reconciliation
180(16)
6.1.1 Data Reconciliation Method
181(1)
6.1.2 Results and Discussion
182(13)
6.1.2.1 Source of Data
182(3)
6.1.2.2 Global Mass Balances
185(2)
6.1.2.3 Outlier Determination
187(1)
6.1.2.4 Data Reconciliation
187(2)
6.1.2.5 Analysis of Results
189(6)
6.1.3 Conclusions
195(1)
6.2 Methodology for Sensitivity Analysis of Parameters
196(15)
6.2.1 Description of the Method
198(4)
6.2.1.1 Initialization of Parameters
199(2)
6.2.1.2 Non-linear Parameter Estimation
201(1)
6.2.1.3 Sensitivity Analysis
201(1)
6.2.1.4 Residual Analysis
202(1)
6.2.2 Results and Discussion
202(8)
6.2.2.1 Experimental Data and the Reaction Rate Model from the Literature
202(2)
6.2.2.2 Initialization of Parameters
204(2)
6.2.2.3 Results of Non-linear Estimation
206(1)
6.2.2.4 Sensitivity Analysis
207(3)
6.2.2.5 Analysis of Residuals
210(1)
6.2.3 Conclusions
210(1)
6.3 Methods for Determining Rate Coefficients in Enzymatic Catalysed Reactions
211(15)
6.3.1 The Michaelis-Menten Model
213(1)
6.3.1.1 Origin
213(1)
6.3.1.2 Development of the Model
213(1)
6.3.1.3 Importance of Vmax and Km
214(1)
6.3.2 Methods to Determine the Rate Coefficients of the Michaelis-Menten Equation
214(3)
6.3.2.1 Linear Regression
214(1)
6.3.2.2 Graphic Method
215(1)
6.3.2.3 Integral Method
215(1)
6.3.2.4 Non-linear Regression
216(1)
6.3.3 Application of the Methods
217(5)
6.3.3.1 Experimental Data
217(3)
6.3.3.2 Calculation of Kinetic Parameters
220(2)
6.3.4 Discussion of Results
222(3)
6.3.5 Conclusions
225(1)
6.4 A Simple Method for Estimating Gasoline, Gas and Coke Yields in FCC Processes
226(8)
6.4.1 Introduction
226(1)
6.4.2 Methodology
227(4)
6.4.2.1 Choosing the Kinetic Models
227(1)
6.4.2.2 Reaction Kinetics
228(1)
6.4.2.3 Estimation of Kinetic Parameters
229(1)
6.4.2.4 Evaluation of Products Yields
230(1)
6.4.2.5 Advantages and Limitations of the Methodology
230(1)
6.4.3 Results and Discussion
231(3)
6.4.4 Conclusions
234(1)
6.5 Estimation of Activation Energies during Hydrodesulphurization of Middle Distillates
234(9)
6.5.1 Introduction
234(1)
6.5.2 Experiments
235(1)
6.5.3 Results and Discussion
236(5)
6.5.3.1 Experimental Results
236(1)
6.5.3.2 Estimation of Kinetic Parameters
237(3)
6.5.3.3 Effect of Feed Properties on Kinetic Parameters
240(1)
6.5.4 Conclusions
241(2)
Problems 243(30)
Nomenclature 273(4)
References 277(6)
Index 283
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.
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