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将迭代最小二乘法应用于硅酸盐矿物标准生成Gibbs自由能ΔG0f 的估算 ,以克服早期指数回归方法 (Chen ,1 975)的一些局限性。借助于树图理论实现了指数回归方程中指数幂xi 的优化选定 ,并采用迭代最小二乘法求解回归方程 ,得到一个估算硅酸盐矿物标准生成Gibbs自由能的改进回归方法。用此方法估算了几种化学计量已知的硅酸盐矿物以及非化学计量组成蒙脱石的标准生成Gibbs自由能 ,所得结果与文献值比较吻合得较好 ,相对误差一般小于0 .5% .
The iterative least squares method was applied to the silicate mineral standard to generate Gibbs free energy ΔG0f to overcome some of the limitations of the earlier exponential regression method (Chen, 1997). With the help of tree graph theory, the optimal selection of exponential power xi in the exponential regression equation is achieved, and the regression equation is solved by the iterative least square method. An improved regression method for estimating the Gibbs free energy of silicate minerals standard is obtained. Using this method, Gibbs free energy of several standard stoichiometric silicate minerals and non-stoichiometric composition of montmorillonite was estimated. The obtained results are in good agreement with the literature values, and the relative errors are generally less than 0.5% .