Molecular dynamics study of liquid CH2 F2 (HFC-32)

Abstract

The molecular dynamics method has been used to study the liquid structure of CH2F2 (HFC-32). The comparison of the radial distribution functions and the pair-potential energy distribution functions of HFC-32 with those of CCl2F2 (CFC-12), indicates that HFC-32 forms hydrogen bonds which generate clusters in the liquid phase. The study of these clusters' configurations reveals that there are three patterns of F–H bonding with different energy levels; namely, single F–H, double F–H (FF–HH, FH–FH, FFH–FH) and triple F–H (FFH–FHH). In these three patterns, single F-H and double F-H types form mainly hydrogen bonds in the liquid phase of HFC-32.