文献类型：期刊文献

英文题名：Calculation of reaction network and product properties of delayed coking process based on structural increments

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

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

年份：2022

卷号：431

外文期刊名：CHEMICAL ENGINEERING JOURNAL

收录：;EI(收录号：20215011320840);WOS:【SCI-EXPANDED(收录号:WOS:000771528200002)】；

基金：Acknowledgement 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：Structure-oriented lumping; Structural increment contribution; Molecular level; Process simulation; Delayed coking

摘要：The delayed coking reaction kinetic model based on the structure-oriented lumping method showed good ac-curacy in predicting the yield and composition of coking products at the molecular level. Based on the basic law that molecular structure determines molecular properties, the structural increment contribution method was constructed to expand the functions of established reaction kinetic model to predict the characteristic properties of coking gasoline and diesel products: distillation range, density, research octane number (RON) or cetane number (CN). The contributions of different structural increments of hydrocarbon molecules in gasoline to the RON and those in diesel to the CN could also be calculated by the model. The RONs of the hydrocarbon molecules decreased with the increase of R, and increased with the increase of br and me for the coking gasoline. The CNs of the paraffins molecules improved with the increase of R, but reduced with the increase of br and A6 for the coking diesel. The effects of all structural increments on the RON and CN could be quantitatively calculated through the established correlation formulas. The prediction of composition and properties of coking gasoline and diesel based on the model could guide the subsequent processing and process optimization of delayed coking plant.