金属-硫脲配合物热力学数据的估算

Estimation for Thermodynamic Data of Metal Thiourea Complexes

金属-硫脲配合物的结构复杂,种类繁多,为了解决其由于缺少热力学数据难以进行热力学分析的问题,将金属-硫脲配合物看成由简单有机物和离子组成,采用PeHbo方程、Misenrd估算法和D. F. Taylor法分别计算金属-硫脲配合物和简单有机物及离子的标准摩尔热容.利用гepцa方程计算金属-硫脲配合物的标准摩尔生成熵,根据简单有机物和离子的标准摩尔生成焓和计算得到的标准摩尔生成熵,计算金属-硫脲配合物的标准摩尔生成自由能.通过对金属-硫脲配合物热力学数据的估算,为实现热力学分析在金属-硫脲配合物中的应用提供理论基础.

It lacks of thermodynamic data because of the complexity of structure and variety on metal thiourea complexes,which makes it difficult to carry out thermodynamic analysis.Metal thiourea complexes are considered to be composed of simple organic compound and ions in this paper.Standard molar heat capacities of metal thiourea complexes,simple organic compound and ions are calculated by PeHbo equation,Misenrd method and D.F.Taylor method.Standard molar formation entropies of metal thiourea complexes are calculated by repa equation.Standard molar formation free energies of metal thiourea complexes are calculated according to standard molar formation enthalpies of simple organic compound and ions and the calculated standard molar formation entropy.Estimation for thermodynamic data of metal thiourea complexes can provide the theoretical fundamentals for the application of thermodynamic analysis in the field of metal thiourea complexes.