Publication:
Calculation of the transport and relaxation properties of dilute water vapor

cris.virtual.departmentThermodynamik
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cris.virtual.department#PLACEHOLDER_PARENT_METADATA_VALUE#
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cris.virtual.departmentbrowseThermodynamik
cris.virtual.departmentbrowseThermodynamik
cris.virtualsource.department96d8e6e1-6361-46c5-ae2c-a84605aadf12
cris.virtualsource.department#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtualsource.department#PLACEHOLDER_PARENT_METADATA_VALUE#
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dc.contributor.authorHellmann, Robert
dc.contributor.authorBich, Eckard
dc.contributor.authorVogel, Eckhard
dc.contributor.authorDickinson, Alan S.
dc.contributor.authorVesovic, Velisa
dc.date.issued2009-07-07
dc.description.abstractTransport properties of dilute water vapor have been calculated in the rigid-rotor approximation using four different potential energy hypersurfaces and the classical-trajectory method. Results are reported for shear viscosity, self-diffusion, thermal conductivity, and volume viscosity in the dilute-gas limit for the temperature range of 250-2500 K. Of these four surfaces the CC-pol surface of Bukowski et al. [J. Chem. Phys. 128, 094314 (2008)] is in best accord with the available measurements. Very good agreement is found with the most accurate results for viscosity in the whole temperature range of the experiments. For thermal conductivity the deviations of the calculated values from the experimental data increase systematically with increasing temperature to around 5% at 1100 K. For both self-diffusion and volume viscosity, the much more limited number of available measurements are generally consistent with the calculated values, apart from the lower temperature isotopically labeled diffusion measurements.
dc.description.versionNA
dc.identifier.doi10.1063/1.3158830
dc.identifier.issn1089-7690
dc.identifier.issn0021-9606
dc.identifier.pmid19586101
dc.identifier.scopus2-s2.0-67650496162
dc.identifier.urihttps://openhsu.ub.hsu-hh.de/handle/10.24405/14504
dc.language.isoen
dc.relation.journalThe journal of chemical physics : JCP
dc.relation.orgunitUniversität Rostock
dc.rights.accessRightsmetadata only access
dc.titleCalculation of the transport and relaxation properties of dilute water vapor
dc.typeResearch article
dspace.entity.typePublication
hsu.peerReviewed
hsu.uniBibliographyNein
oaire.citation.issue1
oaire.citation.volume131
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