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Report No.

Error of the standard gibbs free energy of formation of smectite and 2:1 clay minerals estimated from alternative modeling approach

Ueno, Kenichi; Shibata, Masahiro*

Development of the thermodynamic data of clay minerals including smectite is difficult. In order to estimate thermodynamic data of clay minerals, estimation model for thermodynamic data had been proposed. In this report, in order to select of the best estimation model for ${it $Delta$G$_{f}$$^{circ}$}$ for clay minerals and estimate for its error, five models to predict of ${it $Delta$G$_{f}$$^{circ}$}$ were reviewed. ${it $Delta$G$_{f}$$^{circ}$}$ values were calculated by using these estimation models. Estimated value and experimental values were intercompared, not only error between their values, but also standard deviation of each value on their calculation. The best estimation model of ${it $Delta$G$_{f}$$^{circ}$}$ is considered that mean of errors and $$sigma$$ are the smallest, and the best value of ${it $Delta$G$_{f}$$^{circ}$}$ is predicted by the model.



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