基于结构导向集总的炼油全流程分子水平模拟研究  

Research of the Molecular Level Overall Petroleum Refining Process Simulation Based on Structure-Oriented Lumping

作　　者：王杭州 陈起 欧阳镫浩 孙兰霞[2] 王正元 罗贯纬 田文君 杨德志 刘一心[3] 袁子晴 WANG Hangzhou;CHEN Qi;OUYANG Denghao;SUN Lanxia;WANG Zhengyuan;LUO Guanwei;TIAN Wenjun;YANG Dezhi;LIU Yixin;YUAN Ziqing(PetroChina Shenzhen New Energy Research Institute Co.,Ltd.,Shenzhen 518052,China;PetroChina Dushanzi Petrochemical Company,Dushanzi 833600,China;China Petroleum Planning and Engineering Institute,Beijing 100083,China;PetroChina Refining,Chemical&New Materials,Beijing 100007,China;Technology Administration Department,PetroChina Co.,Ltd.,Beijing 100007,China;PetroChina Qingyang Petrochemical Company,Qingyang 745000,China;PetroChina Guangxi Petrochemical Company,Qinzhou 535000,China;Kunlun Digital Technology Co.,Ltd.,Beijing 102206,China;China Kunlun Contracting&Engineering Corporation,Beijing 100037,China;China HuanQiu Contracting&Engineering Co.,Ltd.,Beijing 100012,China)

机构地区：[1]中石油深圳新能源研究院有限公司,广东深圳518052 [2]中国石油独山子石化公司,新疆独山子833600 [3]中国石油规划总院,北京100083 [4]中国石油炼油化工和新材料分公司,北京100007 [5]中国石油科技管理部,北京100007 [6]中国石油庆阳石化公司,甘肃庆阳745000 [7]中国石油广西石化公司,广西钦州535000 [8]昆仑数智科技有限责任公司,北京102206 [9]中国昆仑工程有限公司,北京100037 [10]中国寰球工程有限公司,北京100012

出　　处：《石油学报(石油加工)》2025年第2期319-331,共13页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：国家重点研发计划项目(2022YFB1709305);国家自然科学基金石油化工联合基金项目(U1862204、U1462206)资助。

摘　　要：基于结构导向集总开发了分子水平炼油全流程模拟方法,首先使用原油分子组成数据库和原油评价数据解析进料分子组成,其次根据各炼油装置反应机理和参数构建了各装置的分子水平模型,最后构建炼油全流程分子水平模型。基于此方法建立了A石化公司炼油全流程分子水平模型,包含12套炼油装置与182条反应规则。在8030种分子进料下,模型内发生反应46443种,涉及反应分子24380种,模拟计算耗时约42 min。各装置产物收率绝对误差小于5%,产物性质与实际值基本一致。全流程分子水平模型可指导分子水平的炼油流程设计与优化,促进企业数字化转型与智能化发展。A molecular level simulation method for constructing the overall refining process was developed based on structure-oriented lumping methods.Initially,feedstock composition analysis was carried out utilizing the molecular composition database and evaluation data of crude oil.Subsequently,a molecular level model for individual units was built based on the reaction mechanisms and pertinent parameters of each refining unit.Eventually,a molecular level model encompassing the overall refining process was established for the petrochemical company A.The model encompasses 12 refining units and 182 reaction rules.With a full-molecule feedstock containing 8030 molecular species,the model records a total of 46443 reactions,involving 24380 distinct reaction molecules,and the simulated calculation spends about 42 minutes.The calculations reveal that the absolute deviation in product yield for each unit is less than 5%,and the product properties align closely with actual values.The overall refining process molecular level model can guide the design and optimization of refining processes at the molecular level,thus promoting the digital transformation and intelligent development of enterprises.

关 键 词：分子管理 分子炼油 全流程分子水平模型 结构导向集总 反应动力学模型 

分 类 号：TE624[石油与天然气工程—油气加工工程]