Effect of additive concentration on water solution under vacuum ambient: A molecular dynamics simulation study
Journal of Molecular Liquids（2021）
Abstract
•Use molecular dynamics simulation to study the effects of different additives on aqueous solutions.•Additives can inhibit the self-diffusion coefficient of water molecules in aqueous solution.•Additives can hinder the formation of hydrogen bonds between water molecules.•The mechanism of ice crystal formation in vacuum is revealed.
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Key words
Molecular dynamics simulation,Magnesium chloride,Ethylene glycol,Iron oxide nanoparticles,Self-diffusion,Hydrogen bonding
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