Computer-aided modeling for hydrodesulfurization, hydrodenitrogenation and hydrodearomatization simultaneous reactions in a hydrotreating industrial process

摘要

The purpose of this research is to utilize computer aided modeling as a tool for the investigation of simultaneous hydrodesulfurization (HDS), hydrodenitrogenation (HDN) and hydrodearomatization (HDA) reactions in industrial reactors. This study is based on the modeling of an industrial process as a mean to predict the quality of products during the hydrotreatment of a vacuum gas oil (VGO) using a commercial catalyst (Ni-Mo/γA1_2O~3), including the three selected reactions (HDS, HDN, HDA), and utilizing data obtained at a pilot-plant, where catalytic experiments were carried out under typical industrial conditions. Analytical techniques such as nuclear magnetic resonance (NMR), gas chromatography coupled with high performance mass spectrometry (GC-MS), ultraviolet-visible spectrometry (UV-VIS), simulated distillation (SimDis), analysis of saturates-aromatic-resin (SAR), and standard tests (ASTM) were used for the construction of a database. A suitable numerical program with a user-friendly interface was written for this simulation. The simulated results show a good agreement with experimental data obtained from the pilot plant.