用双参数模型估算复合氧化物的标准熵

Estimation of Standard Entropy of Complex Oxide Using Two-Parameter Model

提出了估算二元复合氧化物标准熵的双参数模型。用此模型可估算由CaO、SiO2、TiO2等38个简单氧化物之间形成的二元复合氧化物的标准熵,其涉及到硅酸盐、铝酸盐、钛酸盐、硼酸盐、磷酸盐、碳酸盐、硝酸盐、硫酸盐、亚硫酸盐、铁酸盐、铬酸盐、钒酸盐、钨酸盐、钼酸盐、锆酸盐、亚硒酸盐、铪酸盐、铀酸盐等多个体系。在估算已知的251个二元复合氧化物标准熵时,平均误差为4.35 J.mol-1.K-1,标准差为5.55 J.mol-1.K-1。用此双参数模型还可估算三元复合氧化物的标准熵,在估算已知的19个三元复合氧化物标准熵时,其平均误差为7.13 J.mol-1.K-1,标准差为10.12 J.mol-1.K-1。

The two-parameter model was proposed, which can estimate standard entropy of binary complex oxide including many systems such as silicate, carbonate, aluminate, borate, phosphate, sulphate, sulphite, nitrate, ferrite, chromate, titanate, vanadate, tungstate, molybdenate, selenite, zirconate, hafnate and uranate. The average error is 4.35J·mol^-1·K^-1 , and the standard error is 5.55 J·mol^-1·K^-1 when 251 known binary complex oxides are estimated by means of the two-parameter model. Ternary complex oxides can also be estimated using the model. The average error is 7.13 J. molt . K 1, and the standard error is 10.12 J·mol^-1·K^-1 when 19 known ternary complex oxides are estimated by means of the two-parameter model.