C_(9)^(+)重芳烃加氢脱烷基反应的热力学分析  

THERMODYNAMIC ANALYSIS ON HYDRODEALKYLATION REACTION OF C_(9)^(+)HEAVY AROMATIC HYDROCARBON

作　　者：谢仕林 莫昌艺 杨平 严张艳 张鹏飞 任亮 胡志海 Xie Shilin;Mo Changyi;Yang Ping;Yan Zhangyan;Zhang Pengfei;Ren Liang;Hu Zhihai(SINOPEC Research Institute of Petroleum Processing Co.,Ltd.,Beijing 100083)

机构地区：[1]中石化石油化工科学研究院有限公司,北京100083

出　　处：《石油炼制与化工》2024年第9期42-51,共10页Petroleum Processing and Petrochemicals

基　　金：中国石油化工股份有限公司合同项目(121028-1)。

摘　　要：选取两种典型C_(9)^(+)重芳烃原料,其烃组成以三甲苯和甲乙苯为主。选择三甲苯和甲乙苯为模型化合物,计算了其在350~650℃温度范围内加氢脱烷基反应的标准摩尔反应焓变、标准摩尔吉布斯自由能变和标准平衡常数,并进行了反应热力学分析。结果表明:三甲苯和甲乙苯的加氢脱烷基反应均为放热反应,且反应的放热量与分子结构的对称性成负相关关系,这可能与克服甲基或乙基空间位阻相关;在标准状态下三甲苯和甲乙苯脱烷基反应可自发进行,平衡状态下三甲苯和甲乙苯脱烷基反应进行程度较深,且随着脱烷基数目的增加,脱烷基反应进行程度增加,而提高反应温度不利于反应向脱烷基反应方向移动。Two kinds of typical C_(9)^(+)heavy aromatic hydrocarbon feedstocks were selected for hydrocarbon composition analysis.The analysis results showed that trimethylbenzene and ethyltoluene were the major component in the C_(9)^(+)heavy aromatic hydrocarbon feedstocks.Therefore,trimethylbenzene and ethyltoluene were selected as model compounds to calculate the standard molar reaction enthalpy change,standard molar Gibbs free energy change,and standard equilibrium constant of the hydrodealkylation reactions in the temperature range of 350-650℃,and the thermodynamic calculation results of dealkylation reaction were analyzed.The results indicated that the hydrodealkylation reactions of trimethylbenzene and ethyltoluene were exothermic reaction within the temperature range of 350-650℃,and the exothermic energy of the reactions was negatively correlated with the symmetry of the molecular structure,which might be related to overcoming the steric hindrance of methyl or ethyl groups.The dealkylation of trimethylbenzene and ethyltoluene can be carried out spontaneously in standard conditions,meanwhile the equilibrium constants of the reactions gradually decreases with the increase of reaction temperature.

关 键 词：C_(9)^(+) 重芳烃 加氢脱烷基 三甲苯 甲乙苯 反应热力学 

分 类 号：TE624[石油与天然气工程—油气加工工程]