Molecular Modeling in Heavy Hydrocarbon Conversions

Klein (engineering, Rutgers, The State University of New Jersey) introduces a molecule-based modeling approach, along with a system of chemical engineering software tools. Early chapters draw on chemical engineering principles to provide a rigorous framework for the building, solution, and optimization of detailed kinetic models for delivery to process chemists and engineers. Later chapters present applications to the development of kinetic models for complex process chemistries, such as heavy naphtha reforming, gas oil hydroprocessing, and thermal and catalytic cracking.