J. Mol. Structure 416, 243-248 (1997)

Hydrogen bonding in liquid alcohols: A computer simulation study

J.A. Padró(a), Leonor Saiz(a), andE. Guàrdia(b)

(b) Departament de Física Fonamental, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain.,

(b) Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Sor Eulàlia d'Anzizu s.n., B4-B5, 08034, Barcelona, Spain.

A series of molecular dynamics simulations has been performed to investigate hydrogen bonding in liquid alcohols. The systems considered have been methanol, ethanol, ethylene glycol and glycerol at 298 K. The hydrogen bonding statistics as well as the mean lifetime of the hydrogen bonds are analyzed. The results are compared with those corresponding to liquid water.