化工学报2016，Vol.67Issue(4)：1103-1109,7.DOI:10.11949/j.issn.0438-1157.20151302
环丁烯砜合成反应的基团贡献法热力学分析
Thermodynamic analysis on synthesis of sulfolene by group-contribution method
摘要
Abstract
The thermodynamic analysis of sulfolene synthesis reaction was carried out by group-contribution method. The reaction enthalpy, entropy, Gibbs free energy and equilibrium constant were calculated in the temperature range of 300—600 K and the pressure range of 0.1—10 MPa. The effects of temperature, pressure and reactant ratio on equilibrium conversion were also discussed. The calculation results indicate that sulfolene synthesis is a reversible exothermic reaction, and it is spontaneous when the temperature is less than 460 K at standard pressure. The reaction occurs more easily at lower temperatures and higher pressures. Temperature, pressure and the reactants ratio all show significant effect on equilibrium conversion, and the temperature is the most significant factor. Lower temperature, higher pressure and higher reactant ratio favor the promotion of equilibrium conversion, and the maximum equilibrium conversion is close to 1. The experimental results show good agreement with the thermodynamic calculation, and the relative deviation is less than 10%.关键词
环丁烯砜/基团贡献法/热力学/环丁砜Key words
sulfolene/group contribution/thermodynamic/sulfolane分类
化学化工引用本文复制引用
王修纲,沈阳,田冰虎,吴凤超,吴剑华..环丁烯砜合成反应的基团贡献法热力学分析[J].化工学报,2016,67(4):1103-1109,7.基金项目
国家自然科学基金项目(51406125)。@@@@supported by the National Natural Science Foundation of China(51406125) （51406125）
