糠醇催化加氢制备1,2-戊二醇的热力学分析

Thermodynamic analysis of hydrogenation of furfuryl alcohol to 1,2-pentanediol

采用Joback基团贡献法对糠醇催化加氢制备1,2-戊二醇反应过程中所涉及主要物质的摩尔定压热容、标准摩尔生成焓和标准摩尔吉布斯自由能进行估算。通过热力学计算分析表明,应该采用低温、增加H2用量、选用合适催化剂等方法提高1,2-戊二醇的选择性;推测1,2-戊二醇是由1-羟基-2-戊酮加氢得到,而不是由四氢糠醇氢解得到;四氢糠醇与1,2-戊二醇为糠醇加氢的两种平行产物。

The molar heat capacities at constant pressure,the standard molar enthalpies of formation and the standard molar Gibbs free energy of the main substances formed in the preparation of 1,2-pentanediol by catalytic hydrogenation of furfuryl alcohol were estimated by the Joback group contribution method.The thermodynamic calculation shows that the selectivity of 1,2-pentanediol should be increased by using low temperature,increasing the amount of hydrogen and selecting suitable catalysts.It was speculated that 1,2-pentanediol was hydrogenated from 1-hydroxyl-2-pentone rather than tetrahydrofurfuryl alcohol,and tetrahydrofurfuryl alcohol and 1,2-pentanediol were two parallel products in furfuryl alcohol hydrogenation.