用双参数模型估算复合氧化物比热容

Estimation of Heat Capacity of Complex Oxide Using Two-Parameter Model

提出了估算二元复合氧化物比热容的双参数模型。用此模型可估算由CaO、SiO2、TiO2等44个简单氧化物之间形成的二元复合氧化物的比热容,涉及硅酸盐、铝酸盐、钛酸盐、硼酸盐、磷酸盐、碳酸盐、硝酸盐等多个复杂体系。在估算已知的300个二元复合氧化物比热容时,平均误差为3.79 J/(mol.K),标准差为4.97 J/(mol.K)。用此双参数模型还可估算三元复合氧化物的比热容,在估算已知的28个三元复合氧化物比热容时,相对误差的平均值为3.9%,相对误差的标准差为4.3%。

The two-parameter model was established, which can estimate heat capacity of binary complex oxides including many systems such as silicate, carbonate, aluminate, borate, phosphate, sulphate, sulphite and nitrate, etc. The average error is 3.79 J/（mol · K）, and the standard error is 4.97 J/（mol · K） when 300 known binary complex oxides are estimated by means of the two-parameter model. Ternary complex oxides can also be estimated by using the model. The average value of relative error is 3.9%, and its standard error is 4. 3% when 28 known ternary complex oxides are estimated by means of the two-parameter model.