The origin of the interaction of 1,3,5-trinitrobenzene with siloxane surface of clay minerals

We have found that the attractive component of adsorption energy consists mainly of two commensurable parts. The first one is electrostatic contribution. This interaction is responsible for the virtually planar orientation of absorbed TNB with respect to the silicon-oxygen plane of clay minerals. Another stabilizing interaction originates from dispersion energy. This contribution amounts to 30-50% of the total adsorption energy.