Application of Molecular Orbital Calculation for Evaluating Binding Force of Water Molecules Sorbed on Surface of 2:1 Type Clay Mineral

Abstract

We evaluate the bonding force subjecting on the water molecule sorbed on the surface of 2:1 type clay mineral by using semi-empirical molecular orbital calculation, and compare it with the binding forces of soild and liquid phases of water. We can consider that molecular orbital calculation is a useful and helpful tool for characterizing the properties of water molecules present in the clay minerals.