Molecular Modeling in Heavy Hydrocarbon Conversions

ISBN-13: 9780367578022 / Angielski / Miękka / 2020 / 262 str.

Michael T. Klein; Gang Hou; Ralph Bertolacini

Opis

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 proce

Spis treści

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.

O autorze

Michael T. Klein, Gang Hou, Ralph Bertolacini, Linda J. Broadbelt, Ankush Kumar