Simulation of Reaction Pathways of Sulfur Compounds and Product Properties Based on the Molecular-Level Hydrotreating Reaction Model
Lei Ye,
Alqubati Murad,
Xinglong Qin
et al.
Abstract:A molecular-level reaction model for the diesel hydrotreating process was established by using the structure-oriented lumping (SOL) method. A molecular composition matrix was applied to represent the hydrotreating feed molecular composition and was calculated as the model input. By following the 38 hydrotreating reaction rules, each molecule of the feed molecular composition matrix was able to react and automatically generate reaction pathways and eventually form a large reaction network containing 37,097 reac… Show more
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