Diesel molecular composition and blending modeling based on SUBEM framework

作     者：Yue-Ming Guan Dong Guan Cheng Zhang Sheng-Hua Yuan Guang-Qing Cai Lin-Zhou Zhang Yue-Ming Guan;Dong Guan;Cheng Zhang;Sheng-Hua Yuan;Guang-Qing Cai;Lin-Zhou Zhang

作者机构：State Key Laboratory of Heavy Oil ProcessingPetroleum Molecular Engineering Center(PMEC)China University of PetroleumBeijing102249China SINOPEC Dalian Research Institute of Petroleum and PetrochemicalsSINOPECDalian116045LiaoningChina 

出 版 物：《Petroleum Science》 (石油科学（英文版）)

年 卷 期：2022年第19卷第2期

页      面：839-847页

核心收录：

学科分类：0820[工学-石油与天然气工程] 081702[工学-化学工艺] 08[工学] 0817[工学-化学工程与技术] 

基　　金：supported by the SINOPEC R&D Program(grant number 119014-1) 

主　　题：Molecular compositional model Molecular blending model SU-BEM Framework Diesel 

摘      要：Diesel molecular compositional model has important application for diesel quality prediction,blending,and molecular-level process model development.In this paper,different types of diesel molecular compositional and blending models were constructed based on the SU-BEM framework.More than 1500 representative molecules were selected to form the molecular structure library.The probability density functions(PDFs)combination was determined by experimental data and experience.A quadratic optimization strategy combining genetic algorithm with local optimization algorithm was adopted to improve the accuracy of the compositional model.The model results show good agreement with the experimental data.The diesel blending model was constructed at the molecular-level based on the above diesel compositional models.The properties of the blending model accord with the experimental regulations.It is proved that the compositional models and blending model constructed have high accuracy and strong prediction capability,and are applicable to the industrial process.