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Title: Interpreting the H/D Isotope Fractionation of Liquid Water DuringEvaporation Without Condensation

Abstract

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.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Ernest Orlando Lawrence Berkeley NationalLaboratory, Berkeley, CA (US)
Sponsoring Org.:
USDOE Director. Office of Science. Basic EnergySciences
OSTI Identifier:
917053
Report Number(s):
LBNL-62751; #340
R&D Project: 403501; BnR: KC0301020; TRN: US0804418
DOE Contract Number:
DE-AC02-05CH11231
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry C; Journal Volume: 111; Related Information: Journal Publication Date: 2007
Country of Publication:
United States
Language:
English
Subject:
75; EVAPORATION; FRACTIONATION; SENSITIVITY; SOLVATION; WATER

Citation Formats

Cappa, Christopher D., Smith, Jared D., Drisdell, Walter S., Saykally, Richard J., and Cohen, Ronald C. Interpreting the H/D Isotope Fractionation of Liquid Water DuringEvaporation Without Condensation. United States: N. p., 2007. Web. doi:10.1021/jp065095r.
Cappa, Christopher D., Smith, Jared D., Drisdell, Walter S., Saykally, Richard J., & Cohen, Ronald C. Interpreting the H/D Isotope Fractionation of Liquid Water DuringEvaporation Without Condensation. United States. doi:10.1021/jp065095r.
Cappa, Christopher D., Smith, Jared D., Drisdell, Walter S., Saykally, Richard J., and Cohen, Ronald C. Thu . "Interpreting the H/D Isotope Fractionation of Liquid Water DuringEvaporation Without Condensation". United States. doi:10.1021/jp065095r.
@article{osti_917053,
title = {Interpreting the H/D Isotope Fractionation of Liquid Water DuringEvaporation Without Condensation},
author = {Cappa, Christopher D. and Smith, Jared D. and Drisdell, Walter S. and Saykally, Richard J. and Cohen, Ronald C.},
abstractNote = {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.},
doi = {10.1021/jp065095r},
journal = {Journal of Physical Chemistry C},
number = ,
volume = 111,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2007},
month = {Thu Mar 15 00:00:00 EDT 2007}
}