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Elements of Reaction Kinetics | |
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Definitions of Chemical Rates | |
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Rate Equations | |
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Coupled Reactions | |
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Reducing the Size of Kinetic Models | |
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Bio-Kinetics | |
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Complex Reactions | |
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Modeling the Rate Coefficient | |
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Kinetics of Heterogeneous Catalytic Reactions | |
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Introduction | |
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Adsorption on Solid Catalysts | |
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Rate Equations | |
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Complex Catalytic Reactions | |
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Experimental Reactors | |
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Model Discrimination and Parameter Estimation | |
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Sequential Design of Experiments | |
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Expert Systems in Kinetics Studies | |
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Transport Processes with Reactions Catalyzed by Solids | |
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Interfacial Gradient Effects | |
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Reaction of a component of a fluid at the surface of a solid | |
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Mass and heat transfer resistances | |
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Concentration or partial pressure and temperature differences | |
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Intraparticle Gradient Effects | |
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Molecular-, Knudsen-, and surface diffusion in pores | |
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Diffusion in a catalyst particle | |
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Diffusion and reaction in a catalyst particle. A continuum model | |
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Falsification of rate coefficient and activation energy by diffusion limitations | |
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Influence of diffusion limitations on the selectivities of coupled reactions | |
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Criteria for the importance of intraparticle diffusion limitations | |
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Multiplicity of steady states in catalyst particles | |
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Combination of external and internal diffusion limitations | |
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Diagnostic experimental criteria for the absence of internal and external mass transfer limitations | |
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Nonisothermal particles | |
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Noncatalytic Gas-Solid Reactions | |
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A Qualitative Discussion of Gas-Solid Reactions | |
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General Model with Interfacial and Intraparticle Gradients | |
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Heterogeneous Model with Shrinking Unreacted Core | |
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Models Accounting Explicitly for the Structure of the Solid | |
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On the Use of More Complex Kinetic Equations | |
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Catalyst Deactivation | |
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Types of Catalyst Deactivation | |
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Kinetics of Catalyst Poisoning | |
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Kinetics of Catalyst Deactivation by Coke Formation | |
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Gas-Liquid Reactions | |
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Introduction | |
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Models for Transfer at a Gas-Liquid Interface | |
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Two-Film Theory | |
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Surface Renewal Theory | |
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Experimental Determination of the Kinetics of Gas-Liquid Reactions | |
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The Modeling of Chemical Reactors | |
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Approach | |
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Aspects of Mass-, Heat- and Momentum Balances | |
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The Fundamental Model Equations | |
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The Batch and Semibatch Reactors | |
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Introduction | |
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The Isothermal Batch Reactor | |
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The Nonisothermal Batch Reactor | |
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Semibatch Reactor Modeling | |
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Optimal Operation Policies and Control Strategies | |
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The Plug Flow Reactor | |
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The Continuity, Energy, and Momentum Equations | |
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Kinetic Studies Using a Tubular Reactor with Plug Flow | |
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Design and Simulation of Tubular Reactors with Plug Flow | |
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The Perfectly Mixed Flow Reactor | |
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Introduction | |
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Mass and Energy Balances | |
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Design for Optimum Selectivity in Simultaneous Reactions | |
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Stability of Operation and Transient Behavior | |
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Fixed Bed Catalytic Reactors | |
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Introduction | |
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The Importance and Scale of Fixed Bed Catalytic Processes | |
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Factors of Progress: Technological Innovations and Increased Fundamental Insight | |
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Factors Involved in the Preliminary Design of Fixed Bed Reactors | |
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Modeling of Fixed Bed Reactors | |
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Pseudohomogeneous Models | |
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The Basic One-Dimensional Model | |
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One-Dimensional Model with Axial Mixing | |
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Two-Dimensional Pseudohomogeneous Models | |
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Heteorgeneous Models | |
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One-Dimensional Model Accounting for Interfacial Gradients | |
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One-Dimensional Model Accounting for Interfacial and Intraparticle Gradients | |
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Two-Dimensional Heterogeneous Models | |
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Complex Flow Patterns | |
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Introduction | |
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Macro- and Micro-Mixing in Reactors | |
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Models Explicitly Accounting for Mixing | |
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Micro- Probability Density Function Methods | |
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Micro-PDF Moment Methods: Computational Fluid Dynamics | |
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Macro-PDF / Residence Time Distribution Methods | |
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Semi-Empirical Models for Reactors with Complex Flow Patterns | |
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Fluidized Bed and Transport Reactors | |
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Introduction | |
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Technological Aspects of Fluidized Bed and Riser Reactors | |
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Some Features of the Fluidization and Transport of Solids | |
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Heat Transfert in Fluidized Beds | |
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Modeling of Fluidized Bed Reactors | |
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Modeling of a Transport of Riser Reactor | |
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Fluidized Bed Reactor Models Considering Detailed Flow Patterns | |
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Catalytic Cracking of Vacuum Gas Oil | |
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Multiphase Flow Reactors | |
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Types of Multiphase Flow Reactors | |
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Design Models for Multiphase Flow Reactors | |
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Specific Design Aspects | |