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Effects of Glycerol Concentrations on Self-diffusion Coefficients of Glycerol in Glycerol-Water-Sodium Chloride Ternary Solutions

  • Chen Cong ,
  • Li Weizhong ,
  • Song Yongchen ,
  • Weng Lindong ,
  • Zhang Ning
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  • Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, Dalian University of Technology, Dalian 116024

Received date: 2011-07-15

  Revised date: 2012-01-06

  Online published: 2012-01-06

Supported by

Project supported by the Fundamental Research Funds for the Central Universities (No. DUT11NY01), Specialized Research Fund for the Doctoral Program of Higher Education (No. 20110041120035) and NSFC’s Key Program Project (No. 50736001).

Abstract

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.

Cite this article

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[J]. Acta Chimica Sinica, 2012 , 70(08) : 1043 -1046 . DOI: 10.6023/A1107153

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