金属间化合物的标准生成焓估算模型

摘要

Based on an analysis of existing thermodynamic data, a two-parameter model for estimating standard enthalpy of dual intennetallic was developed. The parameters of 34 kinds of melts were obtained by analyzing the model. It can estimate the standard enthalpy of dual intennetallic composed of simple metals, involving multi-system of Fe, Si, Nb, Ti, Cu, Co, Mg, etc. The standard enthalpies of 109 intermetallics were estimated, such as AlCa, AlCo, CrNi, FeTi, FeSi, FeNb and MoSi. The statistical results show that the calculating average error value of the standard enthalpy is about 12.47 kJ/mol and the standard deviation is 17.40 kJ/mol with the two-parameter model. The precision of standard enthalpy estimated by the two-parameter model is higher and the normal distribution of the results is more concentrative than that estimated by the ion-binding model and the Miedema model.%在分析已有的热力学数据基础上，建立估算二元金属间化合物标准生成焓的双参数模型，通过模型求解，得到34种金属的双参数模型的参数值。用此模型可估算由简单金属形成的二元金属间化合物的标准生成焓，包括Fe,si，Nb，Ti，Cu，Co和Mg等多个体系，估算109个已知金属间化合物AlCa，AlCo，CrNi，FeTi，FeSi，FeNb和MoSi等的标准生成焓。研究结果表明：双参数模型计算的平均误差为12.47 kJ/mol，标准差为17.40 kJ/mol;用双参数模型估算金属间化合物的标准生成焓精度高，其估算结果的正态分布比较集中，并且误差小于离子束缚模型和米德玛模型的误差。