环戊烯氧化合成戊二酸热力学计算与分析  

Thermodynamics calculation and analysis of the synthesis of glutaric acid by oxidation of cyclopentene

作　　者：姚本镇[1] 蒋方红[1] 丁仙华[1] 吴忠平[1] 奚军[1] 

机构地区：[1]中国石化上海石油化工股份有限公司精细化工部,上海200540

出　　处：《计算机与应用化学》2013年第1期63-66,共4页Computers and Applied Chemistry

摘　　要：利用罗济卡-多莫尔斯基基团贡献法估算了戊二酸、1,2-环戊二醇和戊二醛液态的摩尔等压热容,利用米田基团贡献法估算了298.15 K时气态戊二酸、1,2-环戊二醇和戊二醛的标准生成焓和标准熵,利用杜克罗斯基团贡献法估算了戊二酸、1,2-环戊二醇和戊二醛的标准汽化焓。结合其它的热力学数据,在温度范围为273.15 K～373.15 K内,计算了环戊烯氧化合成戊二酸涉及的各反应中反应焓变、反应吉布斯自由能变和标准平衡常数。计算结果表明,在273.15 K～373.15 K范围内各反应均为放热反应,反应在热力学上可自发进行的反应,当达到平衡时各反应均几乎可以进行到底。The heat capacity of liquid glutaric acid, cyclopentane-1,2-diol and glutaraldehyde was estimated by the method of Rozicka-Domalski group contributions, the standard enthalpy and standard entropy of gaseous glutaric acid, cyclopentane-1, 2-diol and glutaraldehyde at 298.15 K was estimated by the method of Yoneda group contributions, the standard vaporization enthalpy of glutaric acid, cyclopentane-1, 2-diol and glutaraldehyde at 298.15 K was estimated by the method of Ducros group contribution. Based on the above thermodynamic data and those from literature, the thermodynamic data on synthesis reactions of glutaric acid, including reaction enthalpy, the change of Gibbs free energy, and the standard equilibrium constant, was calculated at the temperature range from 273.15 K to 373.15 K. The results showed that all the reactions were exothermic and thermodynamically feasible from 273.15 K to 373.15 K, all the reactions could be almost carried on completely when the equilibrium was reached.

关 键 词：环戊烯 过氧化氢 戊二酸 热力学 基团贡献法 

分 类 号：O642.4[理学—物理化学]