Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force Fields.

作者: Hao Jiang , Zoltan Mester , Othonas A. Moultos , Ioannis G. Economou , Athanassios Z. Panagiotopoulos

DOI: 10.1021/ACS.JCTC.5B00421

关键词:

摘要: … Molecular simulation using transferable force-field models can provide reliable estimations for the properties of aqueous electrolyte solutions. The binary H 2 O + NaCl mixture has been …

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