ABSTRACT
Many legacy process models were implemented using lumped kinetics schemes, where the molecules are grouped according to their global properties, such as boiling point fractions or solubilities. Molecular information is obscured by the multicomponent nature of each lump. However, increasing economic needs and environmental concerns have focused attention on the molecular composition of complex feedstocks and their refined products. Modeling approaches that allow for reaction of complex feedstocks and prediction of molecular properties require an unprecedented level of molecular detail.
