NON-BONDED ORGANO-MINERAL INTERACTIONS AND SORPTION OF ORGANIC COMPOUNDS ON SOIL SURFACES : A MODEL APPROACH

@inproceedings{Shevchenko1998NONBONDEDOI,
  title={NON-BONDED ORGANO-MINERAL INTERACTIONS AND SORPTION OF ORGANIC COMPOUNDS ON SOIL SURFACES : A MODEL APPROACH},
  author={Sergey M. Shevchenko and George William Clair Bailey},
  year={1998}
}
Abstract Molecular mechanics and molecular dynamics calculations have been performed on organo-mineral composites that model the sorption of high-molecular-weight humic polymers on mineral surfaces and the sorption of low-molecular-weight organic contaminants on both mineral and organic surfaces in soil. Muscovite mica was chosen as a mineral model; an oxidized topological lignin-carbohydrate complex was chosen as a humic model; benzene, sodium benzoate, atrazine, and DDT represent different… CONTINUE READING