Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2012-03-10

Journal: MOLECULAR PHYSICS

Included Journals: EI、SCIE

Volume: 110

Issue: 5

Page Number: 283-291

ISSN: 0026-8976

Key Words: molecular dynamics simulation; glycerol; diffusion coefficient; hydrogen bond

Abstract: Water self-diffusion coefficients for glycerol-water binary and glycerol-water-sodium chloride ternary solutions at low glucose concentrations have been predicted using the mean square displacements method. It was found that the water self-diffusion coefficient decreases as the glycerol concentration increases. The reasons for the decrease have been analysed from the viewpoint of the hydrogen bonds.