Acta Chimica Sinica ›› 2012, Vol. 70 ›› Issue (08): 1043-1046.DOI: 10.6023/A1107153 Previous Articles    



陈聪, 李维仲, 宋永臣, 翁林岽, 张宁   

  1. 大连理工大学海洋能源利用与节能教育部重点实验室 大连 116024
  • 收稿日期:2011-07-15 修回日期:2012-01-06 出版日期:2012-04-28 发布日期:2012-01-06
  • 通讯作者: 陈聪
  • 基金资助:

    教育部中央高校基本科研业务费专项资金(No. DUT11NY01), 高等学校博士学科点专项科研基金新教师基金(No. 20110041120035)和国家自然科学基金重点(No. 50736001)资助项目.

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   

  1. Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, Dalian University of Technology, Dalian 116024
  • Received:2011-07-15 Revised:2012-01-06 Online:2012-04-28 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).

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.

Key words: molecular dynamics simulation, self diffusion coefficients, glycerol