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A molecular dynamics simulation study of KF and NaF ion pairs in hydrothermal fluids

Xiaoyu Zhang, Xiandong Liu, Mengjia He, Yingchun Zhang, Yicheng Sun, Xiancai Lu

2020Fluid Phase Equilibria20 citationsDOI

Topics & Concepts

ChemistryMolecular dynamicsIonHydrothermal circulationFluorideIon-associationCoordination numberRadial distribution functionAnalytical Chemistry (journal)Inorganic chemistryComputational chemistryChromatographyChemical engineeringOrganic chemistryEngineeringChemical and Physical Properties in Aqueous SolutionsCalcium Carbonate Crystallization and InhibitionGroundwater and Isotope Geochemistry
A molecular dynamics simulation study of KF and NaF ion pairs in hydrothermal fluids | Litcius