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Informationen zum Autor Michael T. Klein, Gang Hou, Ralph Bertolacini, Linda J. Broadbelt, Ankush Kumar Klappentext Molecular Modeling in Heavy Hydrocarbon Conversions introduces and develops a systematic molecule-based modeling approach with a system of chemical engineering software tools. This book shows how chemical engineering principles provide a rigorous framework for the building! solution! and optimization of detailed kinetic models for delivery to process chemists and engineers. It discusses the Kinetic Modeler's Toolbox! a user-friendly software package that integrates molecule-based kinetic modeling. This text includes examples that apply this approach to the development of kinetic models for complex process chemistries! such as heavy naphtha reforming and gas oil hydroprocessing. Zusammenfassung Introduces and develops a systematic molecule-based modeling approach with a system of chemical engineering software tools. This book shows how chemical engineering principles provide a rigorous framework for the building, solution, and optimization of detailed kinetic models for delivery to process chemists and engineers. Inhaltsverzeichnis Introduction. Methods. Molecular Structure and Composition Modeling of Complex Feedstocks. Automated Reaction Network Construction of Complex Process Chemistries. Organizing Kinetic Model Parameters. Matching the Equation Solver to the Kinetic Model Type. Integration of Detailed Kinetic Modeling Tools and Model Delivery Technology. Applications. Molecule-Based Kinetic Modeling of Naphtha Reforming. Mechanistic Kinetic Modeling of Heavy Paraffin Hydrocracking. Molecule-Based Kinetic Modeling of Naphtha Hydrotreating. Automated Kinetic Modeling of Gas Oil Hydroprocessing. Molecular Modeling of Fluid Catalytic Cracking. Automated Kinetic Modeling of Naphtha Pyrolysis. Summary and Conclusions.
