基于分子水平模型的延迟焦化产物分布与性质预测  

Prediction of Delayed Coking Product Distribution and Properties Based on Molecular-Level Model

作　　者：谢锦权 ALQUBATI Murad 叶磊 覃兴龙 余文新 侯立新 王荣杰 李江兵 刘鹏鹏 刘振学 刘纪昌[1,2] XIE Jinquan;ALQUBATI Murad;YE Lei;QIN Xinglong;YU Wenxin;HOU Lixin;WANG Rongjie;LI Jiangbing;LIU Pengpeng;LIU Zhenxue;LIU Jichang(State Key Laboratory of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;Key Laboratory for Green Processing of Chemical Engineering of Xinjiang Bingtuan,Shihezi University,Shihezi 832003,China;Shandong Chambroad Holding Group Co.,Ltd.,Binzhou 256500,China)

机构地区：[1]华东理工大学化学工程联合国家重点实验室,上海200237 [2]石河子大学新疆兵团化工绿色过程重点实验室,新疆石河子832003 [3]山东京博控股集团有限公司,山东滨州256500

出　　处：《石油学报（石油加工）》2023年第6期1325-1338,共14页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：石油化工联合基金重点项目(U1862204);企业创新发展联合基金重点项目(U22B20141)资助。

摘　　要：为实现延迟焦化过程石油分子的高效利用,基于结构导向集总方法建立了分子水平的延迟焦化反应过程模型。模型能够模拟延迟焦化反应体系中分子的反应路径,定性定量描述分子在反应器中的浓度变化,预测产物收率与族组成和典型分子含量。基于分子结构对分子性质的决定作用,建立了结构单元贡献法油品性质计算模型,用于计算汽油和柴油分子的沸点和密度、汽油分子的辛烷值和柴油分子的十六烷值。结合相应的性质混合规则,模型对汽油和柴油馏程点的预测误差不大于5.0℃,汽油和柴油密度的预测误差不大于3.00 kg/m^(3),汽油研究法辛烷值的预测误差不大于1.2个单位,柴油十六烷值的预测误差不大于0.6个单位。结合结构单元贡献法的分子水平延迟焦化模型拓展了结构导向集总模型的预测功能,可以为延迟焦化过程油品的分子管理提供数据支持。To realize the efficient utilization of petroleum molecules in the delayed coking process,a model of molecular-level delayed coking reaction process was established based on the structure-oriented lumping method.The model can simulate the reaction paths of molecules in the delayed coking reaction system,qualitatively and quantitatively describe the concentration changes of molecules in the reactor,and predict the product yield,group composition and typical molecule content of products.Based on the decisive role of molecular structure in the molecular properties,the oil property calculation model based on the structural increment contribution method was established to calculate the boiling point and density of gasoline and diesel molecules,the octane number of gasoline molecules and the cetane number of diesel molecules.Combined with the corresponding property mixing rules,the prediction error of the model for the gasoline and diesel distillation range points≯5.0℃,gasoline and diesel density≯3.0 kg/m^(3),gasoline RON≯1.2 units,and diesel CN≯0.6 units.The molecular-level delayed coking model based on the structural increment contribution method has extended the prediction function of the structure-oriented lumping model and can provide data support for the molecular management of oil products from the delayed coking process.

关 键 词：分子管理 结构导向集总 延迟焦化 反应动力学 过程模拟 

分 类 号：TE624[石油与天然气工程—油气加工工程]