2:1型粘土鉱物表面における吸着水分子の束縛力評価への分子軌道法の適用
1997 年 18 巻 12 号 p. 786-788
詳細
1997 年 18 巻 12 号 p. 786-788
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.
