文献类型：期刊文献

中文题名：对硝基苯乙醚合成过程热力学分析

英文题名：THERMODYNAMIC ANALYSIS FOR SYNTHESIS PROCESS OF 4-NITROPHENETOLE

作者：史志洋[1];宋兴福[1];孙泽[1];许妍霞[1];于建国[1]

机构：[1]华东理工大学国家盐湖资源综合利用工程技术研究中心,上海200237

年份：2016

卷号：33

期号：4

起止页码：51

中文期刊名：精细石油化工

外文期刊名：Speciality Petrochemicals

收录：CSTPCD;;Scopus;北大核心:【北大核心2014】；CSCD:【CSCD_E2015_2016】；

语种：中文

中文关键词：对硝基苯乙醚;基团贡献法;热力学分析

外文关键词：4-nitrophenetole; group contribution; thermodynamic analysis

摘要：通过Yoneda基团贡献法,以苯为骨架基团,计算对硝基苯乙醚等物质热力学参数;采用Fedors和Rozicka-DomMski基团贡献法来计算相关物质呈液态时的生成焓、熵值和热容与温度的关系式,得出在温度范围为313.15～383.15K时,主副反应的反应焓变、吉布斯自由能和平衡常数与温度的关系。结果表明：在研究温度范围内主副反应都为放热反应;主反应吉布斯自由能小于副反应,主副反应都可自发进行;主反应平衡常数在数量级上大于副反应,说明主反应进行程度高于副反应。
Yoneda group contribution method was adopted to calculate thermodynamic parameters of 4-nitrophenetole with benzene as basis group;Fedors and Rozicka-Domalski group contribution method was adoped to obtain the relationship equation between temperature and enthalpy of formation,entropy,heat capacity when constituent exists as liquid,relationship between temperature and reaction enthalpy,Gibbs free energy equilibrium constant of primary and side reaction within the range from313.15 Kto 358.15 Kwas obatined.Results showed that the primary and side reaction were exothermic reaction;the gibbs free energy of primary reaction was lower than that of side reaction,both primary reaction and side reaction were spontaneous;the equilibrium constant of primary reaction was higher than that of side reaction in order of magnitudes,indicating that degree of primary reaction was higher than that of side reaction.