文献类型：期刊文献

英文题名：Coupling simulation of delayed coking and hydrotreating process at molecular level

作者：Ye, Lei[1];Qin, Xinglong[1];Murad, Alqubati[1];Hou, Lixin[1];Liu, Jichang[1,2];Xie, Jinquan[1];Yu, Wenxin[1];Pu, Xin[1];Han, Xin[1];Zhao, Jigang[2];Sun, Hui[1];Ling, Hao[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]Shihezi Univ, Sch Chem & Chem Engn, Key Lab Green Proc Chem Engn Xinjiang Bingtuan, Shihezi 832003, Peoples R China

年份：2022

卷号：449

外文期刊名：CHEMICAL ENGINEERING JOURNAL

收录：;EI(收录号：20220040512);WOS:【SCI-EXPANDED(收录号:WOS:000823044500003)】；

基金：We acknowledge financial support from Joint Fund by the National Natural Science Foundation of China and PetroChina (Project U1862204) .

语种：英文

外文关键词：Molecular management; Coupling simulation; Structure-oriented lumping; Delayed coking; Hydrotreating

摘要：For the highly integrated system in the petrochemical industry, establishing a coupling simulation model for the units that were closely related at the molecular level was a big challenge due to the difficulty of massive and effective data interaction. Based on the structure-oriented lumping (SOL) method, the molecular composition matrix, which included material molecular information quantitatively, made it possible to build up the coupling simulation model. An interoperable molecular composition matrix including 1228 row vectors connected the delayed coking model and the hydrotreating model in series. The coupling simulation model of delayed coking and hydrotreating process was established at the molecular level. In addition to predicting the molecular composition of the products, the simulation model could track the reaction path and reflect the synergistic transformation effect of hydrocarbon and non-hydrocarbon molecules. And the simulation model could also quantitatively calculate the influence of changes in upstream reaction conditions on downstream products. The coupling simulation model provided useful explorations to achieve the petroleum molecular management throughout the whole petrochemical process.