丙酮与甲醛合成4-羟基-2-丁酮的热力学分析

Thermodynamic Analysis for Synthesis of 4-hydroxy-2-butanone from Acetone and Formaldehyde

采用Benson基团贡献法对丙酮与甲醛合成4-羟基-2-丁酮反应进行热力学分析。计算了反应中各组分的标准摩尔生成焓、标准摩尔熵、摩尔定压热熔以及反应平衡常数,并讨论了反应温度对该反应热力学平衡的影响。结果表明,生成4-羟基-2-丁酮反应是放热反应,反应平衡常数随温度的升高而降低,适当提高反应温度有利于反应的进行,最佳反应温度应在550K左右。

The thermodynamic properties including standard molar formation enthalpies,standard molar entropies and molar heat capacities of every substance in the reaction for synthsis of 4-hydroxy-2-butanone from acetone and formaldehyde were estimated by means of Benson group contribution method.The results indicates that the reaction for synthsis of 4-hydroxy-2-butanone is exothermic.The equilibrium constant of reaction increases as the temperature rises.Optimal reaction temperature is beneficial for synthsis of products,and the optimum reaction will be about 550 K.