Molecular dynamics study of liquid CH2F2 (HFC-32)

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.