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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.
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