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开发了组贡献方法用于预测固体无机盐的ΔHf298和ΔGf298。这个方法提供了23种阴离子,136种阳离子和五种配位分子,126种阳离子和3种配位分子的加和性常数以预测ΔGf298。对938种固体无机化合物的ΔHf298和687种固体无机化合物的ΔGf298进行数据回归分析,ΔHf298和ΔGf298预测值的平均误差分别为2.57%和2.60%。对每个加和性常数的相对误差值也进行了估算。
Group contribution methods were developed for predicting ΔHf298 and ΔGf298 for solid inorganic salts. This method provides the additive constants of 23 anions, 136 cations and five coordinating molecules, 126 cations and three coordinating molecules to predict [Delta] Gf298. Data regression analysis of ΔHf298 of 938 solid inorganic compounds and ΔGf298 of 687 solid inorganic compounds shows that the average errors of ΔHf298 and ΔGf298 predicted values are 2.57% and 2.60%, respectively. The relative error of each additive constant is also estimated.