Molecular Modeling in Heavy Hydrocarbon Conversions

In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the entire model building, solution, and optimization process.

Part I shows how chemical engineering principles provide a rigorous framework for t…