Hydrocracking of complex mixtures: From bulk properties, over fundamental kinetics to detailed product composition

Crude-Oil-to-Chemicals (COTC) is a novel concept in the oil industry which production of base chemicals preferred over fuels. This requires an intensive integration refinery and petrochemical operations and, most cases, hydroconversion steam cracking play essential role. In present work, particularly role assessed selected COTC scenarios via simulation framework based on fundamental modeling that seamlessly integrates Single-Event Microkinetics description reactions with molecular reconstruction strategy Shannon Entropy maximization for determining detailed feedstock composition. Dealkylation ring opening have been identified as crucial ones to produce good cracker feeds, i.e., mixtures paraffins C3-C21 range, especially n-paraffins. Simulation results show typical VGO yield desired fraction increases from 8.9% wt/wt 19.6% increase +5 kJ/mol acidity strength catalyst (?Hprot) +10 °C operation temperature. general, it was found total increased by +1.42 wt% per decrease ?Hprot catalyst, while temperature same + 0.46 wt%.