酯类润滑油三羟甲基丙烷油酸酯合成反应的热力学分析  

Thermodynamic Analysis of the Synthesis Reaction of Trimethylolpropane Trioleate as Lubricants

作　　者：寇文敏 张建[1] 张坤 董政岩 李绮璐 刘宝勇[1] KOU Wen-min;ZHANG Jian;ZHANG Kun;DONG Zheng-yan;LI Qi-lu;LIU Bao-yong(School of Chemistry and Chemical Engineering,Lanzhou Jiaotong University,Lanzhou,Gansu 730070,China;PetroChina Dalian Lubricant Company,Dalian,Liaoning 116031,China)

机构地区：[1]兰州交通大学化学化工学院,甘肃兰州730070 [2]中国石油大连润滑油分公司,辽宁大连116031

出　　处：《润滑油》2024年第1期24-31,共8页Lubricating Oil

基　　金：甘肃省自然科学基金项目“绿色污泥基生物炭制备及重金属吸附性能调控”(20JR10RA236);甘肃省科技厅重点研发计划-工业类项目“新型功能化纳米零价铁吸附剂的优化制备以及对水中重金属污染物的去除”(22YF7GA139)。

摘　　要：针对三羟甲基丙烷(TMP)与油酸(OA)合成三羟甲基丙烷油酸酯(TMPTO)的反应体系,采用基团贡献法对TMP、OA、TMPTO以及反应过程中所涉及的中间产物进行热力学数据的相关计算和分析。研究了在403~493 K温度范围内反应体系的反应焓变Δ_(r)H_(m)^(θ)、反应熵变Δ_(r)S_(m)^(θ)、反应吉布斯自由能变Δ_(r)G_(m)^(θ)和反应平衡常数K^(θ)。计算结果表明,该反应为吸热反应;在温度范围内,吉布斯自由能变随反应温度的升高而降低,升高温度有利于反应向正方向进行。通过对计算结果与已知文献数据进行比较,表明文章提出的分析方法是可行的。In this study,the thermodynamic data of trimethylolpropane(TMP),oleic acid(OA),trimethylolpropane trioleate(TMP-TO),and the intermediate products involved in the reaction process were calculated and analyzed using the group contribution method.The enthalpy change Δ_(r)H_(m)^(θ),entropy change Δ_(r)S_(m)^(θ),Gibbs free energy change Δ_(r)G_(m)^(θ),and equilibrium constant K^(θ) of the reaction system were inves-tigated within a temperature range of 403-493 K.The calculation results indicate that it is an endothermic reaction.Within the tempera-ture range,the Gibbs free energy change decreases with increasing reaction temperature,indicating that higher temperatures favor the for-ward reaction.A comparison between the calculated results and known literature data demonstrates the feasibility of the group-contribution analysis method proposed herein.

关 键 词：三羟甲基丙烷 油酸 三羟甲基丙烷油酸酯 热力学分析 基团贡献法 

分 类 号：TE626.3[石油与天然气工程—油气加工工程] TE624.8