2:1型粘土鉱物表面の電荷分布

抄録

Charge distribution on the surface of 2 : 1 type clay mineral is evaluated by using semi-empirical molecular orbital calculation. The negative charge of clay mineral, which is introduced by isomorphous substitution in tetrahedral and octahedral sheets, is not localized on the oxygen atoms of the surface. We may be able to understand the mechanism of the cation exchange capacity on the clay surface by considering the frontier electron density.