Metal cation complexation with natural organic matter in aqueous solutions: molecular dynamics simulations and potentials of mean force.

@article{IskrenovaTchoukova2010MetalCC,
  title={Metal cation complexation with natural organic matter in aqueous solutions: molecular dynamics simulations and potentials of mean force.},
  author={Eugenia Iskrenova-Tchoukova and Andrey G Kalinichev and R James Kirkpatrick},
  journal={Langmuir : the ACS journal of surfaces and colloids},
  year={2010},
  volume={26 20},
  pages={
          15909-19
        }
}
Natural organic matter (NOM, or humic substance) has a known tendency to form colloidal aggregates in aqueous environments, with the composition and concentration of cationic species in solution, pH, temperature, and the composition of the NOM itself playing important roles. Strong interaction of carboxylic groups of NOM with dissolved metal cations is thought to be the leading chemical interaction in NOM supramolecular aggregation. Computational molecular dynamics (MD) study of the… CONTINUE READING
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