Paper Citing NAMD - Abstract
Chen Cong; Li Weizhong; Song Yongchen; Weng Lindong; Zhang Ning
Effects of Glycerol Concentrations on Self-diffusion Coefficients of Glycerol in Glycerol-Water-Sodium Chloride Ternary Solutions
ACTA CHIMICA SINICA, 70:1043-1046, APR 28 2012
Glycerol self-diffusion coefficients in glycerol-water-sodium chloride ternary solutions with different concentrations have been predicted using molecular dynamics simulation method. As glycerol concentration increases, glycerol self-diffusion coefficient decreases. Hydrogen bonds analysis has been made and it has been found that decreasing of glycerol self-diffusion coefficients is caused by decreasing of mean number of glycerol-water hydrogen bonds and increasing of mean number of glycerol-glycerol hydrogen bonds.
