摘要
使用Benson基团贡献法和Waston经验公式对二甲胺与乙酸(乙酸酐)反应的标准反应焓变、标准反应吉布斯自由能变和反应平衡常数等热力学数据进行了计算与分析。结果表明,在20~160℃,反应焓变均为负值,说明该反应为放热反应;随着反应温度升高,释放的热量逐渐减少;反应吉布斯自由能变均保持负值,反应可自发进行;反应平衡常数随着反应温度升高逐渐减小,20~40℃反应平衡常数较大,故适合常温反应。
The fundamental thermodynamic data of the substances in the reactions of dimethylamine with acetic acid or acetic anhydride were calculated by Benson group contribution method and Waston empirical formula. The reaction enthalpy, Gibbs free energy change and equilibrium constant of the main reactions were calculated. The results show that the enthalpy changes of both reacions are negative at 20-160℃, indicating that both reactions are exothermic; with the increase of reaction temperature, the heat release will decrease gradually; the Gibbs free energy changes of both reactions are negative, meaning that both reaction can occur spontaneously; and the equilibrium constants of both reactions decreases with the increase of reaction temperature, and they are pretty large at 20-40℃, which is suitable for the reaction.
出处
《天然气化工—C1化学与化工》
CSCD
北大核心
2017年第4期40-45,共6页
Natural Gas Chemical Industry
关键词
N
N-二甲基乙酰胺
合成反应
基团贡献法
热力学
乙酸
乙酸酐
N,N-dimethylacetamide
synthesis reaction
group-contribution method
thermodynamics
acetic acid
acetic anhydride
