Abstract: Hydrogen bonding between fatty alcohol polyoxyethylene ether (AEO₉) molecule and two separate solvent molecules,1,2-propylene glycol and H₂O was examined by using the Gaussian density functional theory (DFT) in order to explore the relationship between them and the viscosity of the system.Results showed that,there are two kinds of hydrogen bond,the weak bond (CH…O) and strong bond (OH…O) between solvent molecules and the hydrophilic head group of AEO₉;and they jointly affect the viscosity of the system with the solvophobic effect of AEO₉.In addition,the changes of surface tension of AEO₉ in 1,2-propylene glycol/H₂O mixed solvent with the content of 1,2-propylene glycol were investigated.And in combination with the semi empirical algorithm PM7 for further analysis,it was found that the introduction of 1,2-propylene glycol will increase the number of hydrogen bonds formed by a single water molecule,which leads to a chemical property change of the three binary mixture systems.

Key words: fatty alcohol polyoxyethylene ether, density functional theory, association state, hydrogen bond