基于分子水平的催化裂化与加氢精制过程耦合模拟与智能优化  

Coupling Simulation and Intelligent Optimization of Fluid Catalytic Cracking andHydrotreating Processes Based on the Molecular Level

作　　者：覃兴龙 杨诗棋 叶磊 纪晔[2] 刘纪昌[1,3] 张健 张金山 胡炳星 QIN Xinglong;YANG Shiqi;YE Lei;JI Ye;LIU Jichang;ZHANG Jian;ZHANG Jinshan;HU Bingxing(School of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;PetroChina Planning and Engineering Institute,Beijing 100083,China;School of Chemistry and Chemical Engineering,Shihezi University,Shihezi 832003,China;Xinjiang Jiayuheng Energy Technology Co.,Ltd.,Huyanghe 834009,China)

机构地区：[1]华东理工大学化工学院,上海200237 [2]中国石油规划总院,北京100083 [3]石河子大学化学化工学院,新疆石河子832003 [4]新疆佳宇恒能源科技有限公司,新疆胡杨河834009

出　　处：《石油学报（石油加工）》2024年第3期569-579,共11页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：国家自然科学基金企业创新发展联合基金重点项目(U22B20141)、第七师胡杨河市财政科技计划(QS2022001)资助。

摘　　要：石油化工行业流程模拟软件对外依存度极高,且国Ⅵ燃油标准对汽油、柴油中特定分子或组分含量提出了更严苛要求,急需在分子层面认识石油组成并通过分子级的耦合模拟与智能优化,实现对汽油、柴油质量指标的精准调控。以分子炼油为指导,基于结构导向集总(SOL)方法,构建了分子水平的催化裂化(FCC)与加氢精制过程耦合模型。通过耦合模型揭示了油品分子的协同转化规律,研究了反应温度对产物分布的影响机制。结果表明:当FCC反应温度由500℃升高到560℃时,甲基戊烷与甲基戊烯的质量比从2.90降低到1.63,从分子水平上阐明了较低的反应温度有利于氢转移反应,有助于降低汽油中烯烃含量。当汽油加氢精制反应温度由220℃升高到280℃时,汽油中二甲基噻吩的质量分数从3.87 mg/kg减少到1.35 mg/kg,从分子水平上阐明了较高的反应温度有利于加氢脱硫反应,有助于降低汽油中硫含量。通过分子级的耦合模拟与智能优化,可为汽油、柴油质量指标的精准调控提供指导,以期为智慧炼油厂建设提供基于反应机理的基础模型。The petrochemical industry is highly dependent on foreign countries for process simulation software;moreover,the NationalⅥfuel standards put forward more stringent requirements for the content of specific molecules or components in automotive gasoline and diesel.It is urgent to understand the composition of petroleum at the molecular level and accurately control the quality indexes of gasoline and diesel through molecular coupling simulation and intelligent optimization.Guided by the molecular oil refining,based on the structure-oriented lumping(SOL)method,the study constructs the coupling model of fluid catalytic cracking(FCC)and hydrotreating processes at the molecular level.Then the coupling model has been used to discover the synergistic transformation laws of oil molecules and investigate the effects of reaction temperatures on the distribution of hydrocarbon and non-hydrocarbon molecules.The results show that when the FCC reaction temperature is increased from 500 to 560℃,the mass fraction ratio of methyl pentane to methyl pentene can decrease from 2.90 to 1.63;on a molecular level,this demonstrates that the low reaction temperature is conducive to the hydrogen transfer reactions and the decrease of olefin content in gasoline.When the reaction temperature of gasoline hydrotreating is increased from 220 to 280℃,the mass fraction of dimethyl thiophene in gasoline can be reduced from 3.87 to 1.35 mg/kg;on a molecular level,this demonstrates that the high reaction temperature is conducive to the hydrodesulfurization reactions and the decrease of sulfur content in gasoline.Molecular coupling simulation and intelligent optimization can provide a guidance for precise control of quality indexes of gasoline and diesel,aiming to establish a basic model based on reaction mechanisms for the construction of smart refineries.

关 键 词：分子炼油 智慧炼油厂 结构导向集总 催化裂化 

分 类 号：TE624[石油与天然气工程—油气加工工程]