Interpreting the H/D Isotope Fractionation of Liquid Water DuringEvaporation Without Condensation
A theoretical model of liquid water evaporation has been developed to interpret results from a recent experimental investigation of isotope fractionation during free evaporation. It is established that the free evaporation isotope fractionation factors ({alpha}{sub evap}) are primarily influenced by the nature of the intermolecular interactions between water molecules, namely, the condensed phase hindered translational and librational frequencies at the surface. The dependence of {alpha}{sub evap} on the isotopic composition of the liquid can be understood in terms of small variations in these frequencies with isotopic composition. This result suggests that the explicit nature of the solvation environment directly influences evaporation rates from liquids. The sensitivity of the calculated evaporation coefficient for liquid water to both temperature and isotope composition is also explored.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director. Office of Science. Basic EnergySciences
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 917053
- Report Number(s):
- LBNL-62751; #340; R&D Project: 403501; BnR: KC0301020; TRN: US0804418
- Journal Information:
- Journal of Physical Chemistry C, Vol. 111; Related Information: Journal Publication Date: 2007
- Country of Publication:
- United States
- Language:
- English
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