2-硝基苯甲醛与4-氨基安替比林液相生成反应的热动力学

Thermodynamics of the Liquid-Phase Formation Reaction for 2-nitrobenzaldehyde and 4-aminoantipyrine

研究了2-硝基苯甲醛缩4-氨基安替比林(简写为NTAP)液相生成反应的的热动力学规律.采用RD496-CK2000微量热计测定了2-硝基苯甲醛和4-氨基安替比林在298 K下的溶解焓,以及两物质在不同温度下反应生成2-硝基苯甲醛缩4-氨基安替比林的反应焓,通过盖斯定律设计可行的热化学循环,计算了NTAP物质的固相生成反应焓.同时利用热力学和动力学方程计算了该液相反应的相关热力学和动力学参数.结果表明,该反应为一级反应,且随着温度的升高,反应速率常数增加.反应的活化能较小,反应的活化焓也较小,而活化熵却较高且为负值,表明反应易于进行.初步探讨了NTAP液相生成过程的热动力学信息,为NTAP作为药用物质的基础研究及药效评价提供了科学依据与参考.

The thermodynamics of the liquid-phase formation reaction of 2-nitrobenzald-ehyde and 4-aminoantipy-rine is studied.The RD496-CK2000 microcalorimeter was used to investigate the dissolution enthalpy of 2-nitrobenzaldehyde,the dissolution enthalpy of 4-aminoantipyrine and the liquid-phase formation reaction enthalpy of them.The enthalpy change of the solid-phase formation reaction was calculated by a feasible thermochemical cycle which is based on Hess’law.In addition,the relative thermodynamics and kinetics parameters were obtained through thermodynamic equations.The results indicated that the reaction is first order reaction and the reaction rate increases with increasing temperature.For the lower reaction active energy,lower active enthalpy,but highter negative active entropy,the formation reaction can be conducted easily.The study has revealed the the thermo-dynamics of NTAP,which provided a scientific evidence for the fundamental researches and its phamacodynamics as phamacological substance.