摘要
本文讨论了在热化学数据库中计算各种物质高温吉布斯自由能的方法,指出以定义和计算在意义上比较含混,且易引起误解。如采用则意义更为明确,且能与原始数据手册中的同类数据互洽。根据后式作者推演了各种不同物质的具体计算方法。
Discussion has been made on the calculation of free energy at elevated tem- peratures in thermochemical databases.The author suggests G_T^0=ΔG_(f(298))~0-(T-298.15)S_(298)~0+ because of the clear definition in thermodynamics and the consistency with the data from most of the basic thermochemical handbooks.Calculation methods for species in different states were introduced in detail.
基金
国家教委"优秀年轻教师基金"的资助
关键词
热化学
数据库
吉布斯自由能
函数
Thermochemical database
Thermodynamics
Free energy
