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Advances in Chemical Engineering, Volume 31 : Volume 31 - Guy B. Marin

Advances in Chemical Engineering, Volume 31

Volume 31

Hardcover Published: 10th November 2006
ISBN: 9780120085316
Number Of Pages: 418

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The theme of the present volume is Computational Fluid Dynamics (CFD) and aims to show the state-of-the-art of the application of CFD in chemical engineering.
The volume is made up of five complementary contributions, providing a style of between a tutorial and a research paper. Some contributions are entirely limited to velocity and temperature fields. Others emphasize the difficulties associated with the combination of transport and reaction.
Contributions include dealing with the simulation of gas-liquid bubble columns and gas-liquid-solid fluidized beds. Addressing the different levels of modeling that are required in order to cover the full spectrum of length scales that are important for industrial applications. Stirred turbulent vessels and the chemical reactions. The importance of chemical reaction kinetics and the interaction with transport phenomena. Finally, looking at reactor engineering: the catalytic fixed bed reactor.
* Original reviews
* Leading chemical engineers as authors
* Reviewing the state-of-the-art of Computational Fluid Dynamics (CFD)

Contributorsp. ix
Prefacep. xi
Predictive Kinetics: A New Approach for the 21st Century
Introductionp. 2
The Historical Applications of Kinetic Modelingp. 2
The Goal of Chemical Kinetic Modelingp. 5
Construction of Predictive Chemical Kinetic Modelsp. 7
The Challenge of Documenting Large Simulationsp. 8
Data Models for Chemical Kineticsp. 9
Automated Construction of Lists-of-Reactionsp. 11
A New Data Model for Chemical Reactions and Propertiesp. 13
The Reaction Mechanism Generator (RMG)p. 26
Applications of RMGp. 27
Efficiently and Accurately Solving Large Kinetic Simulationsp. 29
Fast Solution of Large Systems of Chemistry Equations Using Sparsityp. 31
Using Reduced Chemistry Models in Multidimensional Simulations without Introducing Errorp. 32
Constructing Reduced Chemistry Models Satisfying Error Bounds Over Rangesp. 34
Are Model Predictions Consistent with Experimental Data?p. 38
How to Prove Inconsistency Even if Some Parameters Are Highly Uncertainp. 39
How Standard Operating Practice Must Change in 21st Centuryp. 41
Estimating Error Bars on Model Predictionsp. 42
Summary and Outlookp. 46
Acknowledgmentsp. 47
Nomenclaturep. 47
Referencesp. 48
Kinetic Modelling of Pyrolysis Processes in Gas and Condensed Phase
Introductionp. 52
Kinetic Modelling of Pyrolysis Reactionsp. 55
Automatic Generation of Pyrolysis Mechanismp. 64
Pyrolysis of Large Hydrocarbonsp. 72
Detailed Characterization of Liquid Feedsp. 90
Extension of the Modelling to Liquid-Phase Pyrolysisp. 96
Fouling Processes: Formation of Carbonaceous Deposits and Soot Particlesp. 100
Fouling and Coking Mechanisms in Pyrolysis Coils and TLE'sp. 101
Evolution of Structure and Properties of the Depositp. 107
Soot Formationp. 114
Applicationsp. 124
Steam Cracking Process and Pyrolysis Coilsp. 124
Visbreaking and Delayed Coking Processesp. 129
Thermal Degradation of Polymersp. 136
Conclusionsp. 150
List of Symbolsp. 151
MAMA Program: Automatic Generation of Primary Lumped Reactionsp. 152
Evaluation of End-Product Compositionp. 152
Lumping of Componentsp. 155
Database Structurep. 157
Molecule Homomorphism Algorithmp. 159
Schematic Functionality of the Kinetic Generatorp. 160
Referencesp. 161
Kinetic Models of C[subscript 1]-C[subscript 4] Alkane Oxidation as Applied to Processing of Hydrocarbon Gases: Principles, Approaches and Developments
Introduction: Problem Statementp. 169
Modeling of Complex Reacting Systems: Purposes and Expectationsp. 172
Circumscription of Subject and Area of Parametersp. 176
Accounting of Heterogeneous Processesp. 179
Accuracy of Modeling and Influence of Macro-Kinetic Parametersp. 183
Alternative Approaches to Modelingp. 187
"Additive" Modelsp. 189
"Combinatorial" Modelsp. 193
Ruling Principles for Comprehensive Modelingp. 194
Reduction of Modelsp. 200
Modeling of Heterogeneous-Homogeneous Catalytic Reactionsp. 201
"Elemental Base"p. 203
Limitations of Species Taken into Accountp. 203
Elementary Reactionsp. 206
Selection of Rate Constantsp. 210
Pressure-Dependent Reactionsp. 210
Heterogeneous-Homogeneous Catalytic Reactions on Oxide Catalystsp. 213
Heterogeneous-Homogeneous Catalytic Reactions on Metal Catalystsp. 227
Modeling and Experimentationp. 231
Comparison with Experimentp. 231
Requirements of Experimentp. 233
Some Examples and Commentsp. 237
C[subscript 1]-C[subscript 2] Joint Descriptionp. 237
Expansion on Higher Hydrocarbonsp. 239
Reactions between Alkyl Radicals and Oxygen and Transformations of Alkylperoxy Radicalsp. 243
Capabilities of Process Influencing, Governing and Designp. 246
Concluding Remarksp. 250
Acknowledgmentsp. 251
List of Symbolsp. 251
Referencesp. 253
Kinetic Methods in Petroleum Process Engineering
Introductionp. 260
Kinetic Modelling by Single-Eventsp. 269
Introductionp. 269
Bifunctional Catalysis Mechanismsp. 270
Generation of Reaction Networksp. 271
Computer Representation of Species and Chemical Reactionsp. 273
Results Obtained for Computer Generation of Networks from nC8 to nC15p. 273
Kinetics by Single-Eventsp. 273
Single-Events Microkinetic Conceptp. 273
Separation of Chemical and Structural Contributionsp. 275
Free Enthalpies of Reactants and Activated Complexesp. 276
Thermochemical Restrictions and Constraintsp. 278
Late Lumping Kinetic Modelp. 279
Three-Phase Modelp. 280
Catalytic Actp. 280
Composition of the Reaction Intermediatesp. 281
Lumping by Familiesp. 281
Lumped Kineticsp. 282
Summing Upp. 285
Extrapolation to Heavy Cutsp. 286
Estimation of Kinetic Parametersp. 286
Extension to Heavy Paraffinsp. 289
Extrapolation Capacities in Number of Carbon Atoms: Heavy Paraffinic Waxesp. 294
Perspectivesp. 299
Referencesp. 302
Further Readingp. 304
Indexp. 305
Contents of Volumes in This Serialp. 313
Table of Contents provided by Ingram. All Rights Reserved.

ISBN: 9780120085316
ISBN-10: 0120085313
Series: Advances in Chemical Engineering
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 418
Published: 10th November 2006
Publisher: Elsevier Science Publishing Co Inc
Country of Publication: US
Dimensions (cm): 24.0 x 16.5  x 2.54
Weight (kg): 0.89
Edition Number: 31