Interactions of phosphororganic agents with water and components of polyelectrolyte membranes.

@article{Lee2011InteractionsOP,
  title={Interactions of phosphororganic agents with water and components of polyelectrolyte membranes.},
  author={Ming-Tsung Lee and Aleksey Vishnyakov and Gennady Y Gor and Alexander V Neimark},
  journal={The journal of physical chemistry. B},
  year={2011},
  volume={115 46},
  pages={13617-23}
}
Interactions of nerve G-agents (sarin and soman) and their simulants DMMP (dimethyl methylphosphonate) and DIFP (diisopropyl fluorophosphate) with water and components of polyelectrolyte membranes are studied using ab initio calculations in conjunction with thermodynamic modeling using the conductor-like screening model for real solvents (COSMO-RS). To test reliability of COSMO-RS calculations, we measured the vapor-liquid equilibrium in DMMP-water mixtures and found quantitative agreement… CONTINUE READING
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