Chemical Reaction Kinetics

Concepts, Methods and Case Studies
 
 
John Wiley & Sons Inc (Verlag)
  • erschienen am 5. Juni 2017
  • |
  • 304 Seiten
 
E-Book | PDF mit Adobe DRM | Systemvoraussetzungen
978-1-119-22665-9 (ISBN)
 
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.
weitere Ausgaben werden ermittelt
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 Engineeringand 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, kineticand reactor models, and process technologies mainly in catalytic cracking, catalytic reforming, middle distillate hydrotreating and heavy oils upgrading.
1 - Title Page [Seite 5]
2 - Copyright Page [Seite 6]
3 - Contents [Seite 7]
4 - About the Author [Seite 13]
5 - Preface [Seite 15]
6 - Chapter 1 Fundamentals of Chemical Reaction Kinetics [Seite 17]
6.1 - 1.1 Concepts of Stoichiometry [Seite 17]
6.1.1 - 1.1.1 Stoichiometric Number and Coefficient [Seite 17]
6.1.2 - 1.1.2 Molecularity [Seite 18]
6.1.3 - 1.1.3 Reaction Extent [Seite 19]
6.1.4 - 1.1.4Molar Conversion [Seite 20]
6.1.5 - 1.1.5 Types of Feed Composition in a Chemical Reaction [Seite 21]
6.1.6 - 1.1.6Limiting Reactant [Seite 22]
6.1.7 - 1.1.7Molar Balance in a Chemical Reaction [Seite 23]
6.1.8 - 1.1.8Relationship between Conversion and Physical Properties of the Reacting System [Seite 24]
6.2 - 1.2Reacting Systems [Seite 27]
6.2.1 - 1.2.1Mole Fraction, Weight Fraction and Molar Concentration [Seite 27]
6.2.2 - 1.2.2Partial Pressure [Seite 29]
6.2.3 - 1.2.3Isothermal Systems at Constant Density [Seite 29]
6.2.3.1 - 1.2.3.1Relationship between Partial Pressure (pA) and Conversion (xA) [Seite 32]
6.2.3.2 - 1.2.3.2Relationship between Partial Pressure (pA) and Total Pressure (P) [Seite 32]
6.2.3.3 - 1.2.3.3Relationship between Molar Concentration (CA) and Total Pressure (P) [Seite 32]
6.2.4 - 1.2.4Isothermal Systems at Variable Density [Seite 34]
6.2.5 - 1.2.5General Case of Reacting Systems [Seite 38]
6.2.6 - 1.2.6Kinetic Point of View of the Chemical Equilibrium [Seite 38]
6.3 - 1.3Concepts of Chemical Kinetics [Seite 40]
6.3.1 - 1.3.1Rate of Homogeneous Reactions [Seite 40]
6.3.2 - 1.3.2Power Law [Seite 42]
6.3.2.1 - 1.3.2.1Relationship between kp and kc [Seite 43]
6.3.2.2 - 1.3.2.2Units of kc and kp [Seite 43]
6.3.3 - 1.3.3Elemental and Non-elemental Reactions [Seite 45]
6.3.4 - 1.3.4Comments on the Concepts of Molecularity and Reaction Order [Seite 46]
6.3.5 - 1.3.5Dependency of k with Temperature [Seite 46]
6.3.5.1 - 1.3.5.1Arrhenius Equation [Seite 46]
6.3.5.2 - 1.3.5.2Frequency Factor and Activation Energy [Seite 48]
6.3.5.3 - 1.3.5.3Evaluation of the Parameters of the Arrhenius Equation [Seite 48]
6.3.5.4 - 1.3.5.4Modified Arrhenius Equation [Seite 58]
6.4 - 1.4Description of Ideal Reactors [Seite 59]
6.4.1 - 1.4.1Batch Reactors [Seite 59]
6.4.1.1 - 1.4.1.1Modes of Operation [Seite 60]
6.4.1.2 - 1.4.1.2Data Collection [Seite 62]
6.4.1.3 - 1.4.1.3Mass Balance [Seite 64]
6.4.2 - 1.4.2Continuous Reactors [Seite 65]
6.4.2.1 - 1.4.2.1Space-Time and Space-Velocity [Seite 66]
6.4.2.2 - 1.4.2.2Plug Flow Reactor [Seite 66]
6.4.2.3 - 1.4.2.3Continuous Stirred Tank Reactor [Seite 68]
7 - Chapter 2 Irreversible Reactions of One Component [Seite 71]
7.1 - 2.1Integral Method [Seite 72]
7.1.1 - 2.1.1Reactions of Zero Order [Seite 74]
7.1.2 - 2.1.2Reactions of the First Order [Seite 75]
7.1.3 - 2.1.3Reaction of the Second Order [Seite 77]
7.1.4 - 2.1.4Reactions of the nth Order [Seite 80]
7.2 - 2.2Differential Method [Seite 85]
7.2.1 - 2.2.1Numerical Differentiation [Seite 87]
7.2.1.1 - 2.2.1.1 Method of Approaching the Derivatives (-dCA/dt) to (?CA/?) or (dxA/dt) to (?xA/?) [Seite 87]
7.2.1.2 - 2.2.1.2Method of Finite Differences [Seite 88]
7.2.1.3 - 2.2.1.3Method of a Polynomial of the nth Order [Seite 90]
7.2.2 - 2.2.2Graphical Differentiation [Seite 90]
7.2.2.1 - 2.2.2.1Method of Area Compensation [Seite 90]
7.2.2.2 - 2.2.2.2 Method of Approaching the Derivative (-dCA/dt) to (?CA/?) [Seite 92]
7.2.2.3 - 2.2.2.3Method of Finite Differences [Seite 93]
7.2.2.4 - 2.2.2.4Method of a Polynomial of the nth Order [Seite 94]
7.2.2.5 - 2.2.2.5Method of Area Compensation [Seite 96]
7.2.2.6 - 2.2.2.6Summary of Results [Seite 98]
7.3 - 2.3Method of Total Pressure [Seite 99]
7.3.1 - 2.3.1Reactions of Zero Order [Seite 100]
7.3.2 - 2.3.2 Reactions of the First Order [Seite 101]
7.3.3 - 2.3.3Reactions of the Second Order [Seite 101]
7.3.4 - 2.3.4Reactions of the nth Order [Seite 102]
7.3.5 - 2.3.5Differential Method with Data of Total Pressure [Seite 104]
7.4 - 2.4Method of the Half-Life Time [Seite 107]
7.4.1 - 2.4.1Reactions of Zero Order [Seite 108]
7.4.2 - 2.4.2Reactions of the First Order [Seite 108]
7.4.3 - 2.4.3Reaction of the Second Order [Seite 109]
7.4.4 - 2.4.4Reaction of the nth Order [Seite 109]
7.4.5 - 2.4.5Direct Method to Calculate k and n with Data of t1/2 [Seite 111]
7.4.6 - 2.4.6Extension of the Method of Half-Life Time (t1/2) to Any Fractional Life Time (t1/m) [Seite 113]
7.4.7 - 2.4.7Calculation of Activation Energy with Data of Half-Life Time [Seite 113]
7.4.8 - 2.4.8Some Observations of the Method of Half-Life Time [Seite 115]
7.4.8.1 - 2.4.8.1Calculation of n with Two Data of t1/2 Measured with Different CAo [Seite 115]
7.4.8.2 - 2.4.8.2Generalization of the Method of Half-Life Time for Any Reaction Order [Seite 117]
8 - Chapter 3 Irreversible Reactions with Two or Three Components [Seite 119]
8.1 - 3.1Irreversible Reactions with Two Components [Seite 119]
8.1.1 - 3.1.1Integral Method [Seite 119]
8.1.1.1 - 3.1.1.1Method of Stoichiometric Feed Composition [Seite 120]
8.1.1.2 - 3.1.1.2Method of Non-stoichiometric Feed Composition [Seite 125]
8.1.1.3 - 3.1.1.3Method of a Reactant in Excess [Seite 133]
8.1.2 - 3.1.2Differential Method [Seite 136]
8.1.2.1 - 3.1.2.1 Stoichiometric Feed Composition [Seite 136]
8.1.2.2 - 3.1.2.2 Feed Composition with a Reactant in Excess [Seite 136]
8.1.2.3 - 3.1.2.3Non-stoichiometric Feed Compositions [Seite 137]
8.1.3 - 3.1.3Method of Initial Reaction Rates [Seite 139]
8.2 - 3.2 Irreversible Reactions between Three Components [Seite 143]
8.2.1 - 3.2.1Case 1: Stoichiometric Feed Composition [Seite 143]
8.2.2 - 3.2.2Case 2: Non-stoichiometric Feed Composition [Seite 145]
8.2.3 - 3.2.3Case 3: Feed Composition with One Reactant in Excess [Seite 146]
8.2.4 - 3.2.4Case 4: Feed Composition with Two Reactants in Excess [Seite 147]
9 - Chapter 4 Reversible Reactions [Seite 151]
9.1 - 4.1Reversible Reactions of First Order [Seite 151]
9.2 - 4.2Reversible Reactions of Second Order [Seite 155]
9.3 - 4.3Reversible Reactions with Combined Orders [Seite 162]
10 - Chapter 5 Complex Reactions [Seite 169]
10.1 - 5.1Yield and Selectivity [Seite 169]
10.2 - 5.2Simultaneous or Parallel Irreversible Reactions [Seite 171]
10.2.1 - 5.2.1Simultaneous Reactions with the Same Order [Seite 171]
10.2.1.1 - 5.2.1.1Case 1: Reactions with Only One Reactant [Seite 171]
10.2.1.2 - 5.2.1.2Case 2: Reactions with Two Reactants [Seite 177]
10.2.2 - 5.2.2Simultaneous Reactions with Combined Orders [Seite 179]
10.2.2.1 - 5.2.2.1Integral Method [Seite 181]
10.2.2.2 - 5.2.2.2Differential Method [Seite 182]
10.3 - 5.3Consecutive or In-Series Irreversible Reactions [Seite 183]
10.3.1 - 5.3.1Consecutive Reactions with the Same Order [Seite 183]
10.3.1.1 - 5.3.1.1Calculation of CRmax and t* [Seite 187]
10.3.1.2 - 5.3.1.2Calculation of CRmax and t* for k1 = k2 [Seite 188]
10.3.2 - 5.3.2Consecutive Reactions with Combined Orders [Seite 190]
11 - Chapter 6 Special Topics in Kinetic Modelling [Seite 195]
11.1 - 6.1Data Reconciliation [Seite 196]
11.1.1 - 6.1.1Data Reconciliation Method [Seite 197]
11.1.2 - 6.1.2Results and Discussion [Seite 198]
11.1.2.1 - 6.1.2.1Source of Data [Seite 198]
11.1.2.2 - 6.1.2.2Global Mass Balances [Seite 201]
11.1.2.3 - 6.1.2.3Outlier Determination [Seite 203]
11.1.2.4 - 6.1.2.4Data Reconciliation [Seite 203]
11.1.2.5 - 6.1.2.5Analysis of Results [Seite 205]
11.1.3 - 6.1.3Conclusions [Seite 211]
11.2 - 6.2Methodology for Sensitivity Analysis of Parameters [Seite 212]
11.2.1 - 6.2.1Description of the Method [Seite 214]
11.2.1.1 - 6.2.1.1Initialization of Parameters [Seite 215]
11.2.1.2 - 6.2.1.2Non-linear Parameter Estimation [Seite 217]
11.2.1.3 - 6.2.1.3Sensitivity Analysis [Seite 217]
11.2.1.4 - 6.2.1.4Residual Analysis [Seite 218]
11.2.2 - 6.2.2Results and Discussion [Seite 218]
11.2.2.1 - 6.2.2.1Experimental Data and the Reaction Rate Model from the Literature [Seite 218]
11.2.2.2 - 6.2.2.2Initialization of Parameters [Seite 220]
11.2.2.3 - 6.2.2.3Results of Non-linear Estimation [Seite 222]
11.2.2.4 - 6.2.2.4Sensitivity Analysis [Seite 223]
11.2.2.5 - 6.2.2.5Analysis of Residuals [Seite 226]
11.2.3 - 6.2.3Conclusions [Seite 226]
11.3 - 6.3Methods for Determining Rate Coefficients in Enzymatic Catalysed Reactions [Seite 227]
11.3.1 - 6.3.1The Michaelis-Menten Model [Seite 229]
11.3.1.1 - 6.3.1.1 Origin [Seite 229]
11.3.1.2 - 6.3.1.2Development of the Model [Seite 229]
11.3.1.3 - 6.3.1.3 Importance of Vmax and Km [Seite 230]
11.3.2 - 6.3.2Methods to Determine the Rate Coefficients of the Michaelis-Menten Equation [Seite 230]
11.3.2.1 - 6.3.2.1Linear Regression [Seite 230]
11.3.2.2 - 6.3.2.2Graphic Method [Seite 231]
11.3.2.3 - 6.3.2.3Integral Method [Seite 231]
11.3.2.4 - 6.3.2.4Non-linear Regression [Seite 232]
11.3.3 - 6.3.3Application of the Methods [Seite 233]
11.3.3.1 - 6.3.3.1Experimental Data [Seite 233]
11.3.3.2 - 6.3.3.2Calculation of Kinetic Parameters [Seite 236]
11.3.4 - 6.3.4Discussion of Results [Seite 238]
11.3.5 - 6.3.5Conclusions [Seite 241]
11.4 - 6.4A Simple Method for Estimating Gasoline, Gas and Coke Yields in FCC Processes [Seite 242]
11.4.1 - 6.4.1Introduction [Seite 242]
11.4.2 - 6.4.2Methodology [Seite 243]
11.4.2.1 - 6.4.2.1Choosing the Kinetic Models [Seite 243]
11.4.2.2 - 6.4.2.2Reaction Kinetics [Seite 244]
11.4.2.3 - 6.4.2.3Estimation of Kinetic Parameters [Seite 245]
11.4.2.4 - 6.4.2.4Evaluation of Products Yields [Seite 246]
11.4.2.5 - 6.4.2.5Advantages and Limitations of the Methodology [Seite 246]
11.4.3 - 6.4.3Results and Discussion [Seite 247]
11.4.4 - 6.4.4Conclusions [Seite 250]
11.5 - 6.5Estimation of Activation Energies during Hydrodesulphurization of Middle Distillates [Seite 250]
11.5.1 - 6.5.1Introduction [Seite 250]
11.5.2 - 6.5.2Experiments [Seite 251]
11.5.3 - 6.5.3Results and Discussion [Seite 252]
11.5.3.1 - 6.5.3.1Experimental Results [Seite 252]
11.5.3.2 - 6.5.3.2Estimation of Kinetic Parameters [Seite 253]
11.5.3.3 - 6.5.3.3Effect of Feed Properties on Kinetic Parameters [Seite 256]
11.5.4 - 6.5.4Conclusions [Seite 257]
12 - Problems [Seite 259]
12.1 - Irreversible Reactions of One Component [Seite 259]
12.2 - Irreversible Reactions with Two or Three Components [Seite 267]
12.3 - Reversible Reactions [Seite 276]
12.4 - Complex Reactions [Seite 283]
13 - Nomenclature [Seite 289]
13.1 - Greek Letters [Seite 292]
13.2 - Subindex [Seite 292]
14 - References [Seite 293]
15 - Index [Seite 299]
16 - EULA [Seite 304]

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