Role of hydrogen bonds and molecular structure in relaxation dynamics of pentiol isomers.

Although the presence of hydrogen bonds determines most properties of associated materials, their role in relaxation dynamics of liquids remains unclear. Very recently Nakanishi and Nozaki [M. Nakanishi and R. Nozaki, Phys. Rev. E 84, 011503 (2011)] proposed a simplified model for the description of the molecular dynamics of H-bonding network and tested its validity for several polyols. The authors concluded that relaxation dynamics is controlled mainly by the number of hydroxyl groups, whereas the role of molecular architecture can be neglected. This conclusion, as demonstrated herein, fails in the case of pentiols. When we take into account the role of molecular architecture for development of H-bonded structures, it is still possible to satisfactorily describe molecular dynamics in polyols with the use of the Nakanishi and Nozaki model.