Acta Phys. -Chim. Sin. ›› 2011, Vol. 27 ›› Issue (02): 289-294.doi: 10.3866/PKU.WHXB20110203


Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide

LIU Bo1, HUANG Shi-Ping1, ZHU Ji-Qin2, WANG Peng3, TIAN Hui-Ping3   

  1. 1. Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
    2. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
    3. Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China
  • Received:2010-07-21 Revised:2010-11-03 Published:2011-01-25
  • Contact: HUANG Shi-Ping, ZHU Ji-Qin,
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (20876005, 21076007) and National Key Basic Research Program of China (973) (2010CB732301).


The structural and thermodynamic properties of aqueous dimethyl sulfoxide (DMSO) at a mole fraction of 0.002 were investigated using referenced interaction site model theory at different temperatures. The results reveal that the water network structure is enhanced by the presence of DMSO. The increased fluctuation in the potential of mean force suggests that the water-induced force is repulsive. In addition, the increased entropy of solvation and free energy of solvation imply that the randomness of the solution increases with an increase in temperature. The increased interaction energy and excess chemical potential reveal that the solution deviates from an ideal solution. Furthermore, the increased cavity reorganization energy shows that the system structure reorganizes easily at high temperature.

Key words: Referenced interaction site model, Dimethyl sulfoxide, Microcosmic structure, Thermodynamic property