The investigation of ion association characteristics in lanthanum sulfate solution by the density functional theory and molecular dynamics simulations
Danting Zhang, Yuefei Zhang, Xueying Li, Mei Zhang, Lian Zou, Ruan Chi, Fang Zhou
Topics & Concepts
Aqueous solutionLanthanumDensity functional theorySulfateChemistryMolecular dynamicsIonCluster (spacecraft)Solvation shellCrystallographyInorganic chemistryPhysical chemistryComputational chemistrySolvationProgramming languageComputer scienceOrganic chemistryChemical and Physical Properties in Aqueous SolutionsSolid-state spectroscopy and crystallographyThermodynamic properties of mixtures