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dc.contributor.authorLinnemann, Matthias-
dc.contributor.authorNikolaychuk, Pavel Anatolyevich-
dc.contributor.authorMuñoz-Muñoz, Y. Mauricio-
dc.contributor.authorBaumhögger, Elmar-
dc.contributor.authorVrabec, Jadran-
dc.date.accessioned2020-04-27T07:42:06Z-
dc.date.available2020-04-27T07:42:06Z-
dc.date.issued2019-10-07-
dc.identifier.issn0021-9568-
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/11013-
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-9905-
dc.description.abstractHenry’s law constant data for the noble gases helium, neon, argon, krypton, xenon, and radon in the pure solvents water, methanol, ethanol, and propan-2-ol are predicted over a wide temperature range by molecular simulation. Furthermore, gas solubility measurements are carried out for neon, krypton, and xenon in propan-2-ol, yielding experimental Henry’s law constant values that are employed, together with data from the literature, to evaluate present simulation results. Suitable molecular force field models are identified for each binary system, and new models for helium and neon are presented. By examining the entire set of binary systems, a characteristic trend of the solubility behavior concerning the molecular size of the solutes and solvents is identified. The present work contributes consistent Henry’s law constant data for 24 binary solute–solvent pairs over the entire relevant temperature range and improves the database considerably.en
dc.language.isoenen
dc.relation.ispartof10.14279/depositonce-9842-
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.ddc660 Chemische Verfahrenstechnikde
dc.subject.otherHenry's lawen
dc.subject.othernoble gasen
dc.subject.othermolecular simulationen
dc.subject.othersolubilityen
dc.subject.otherheliumen
dc.subject.otherneonen
dc.titleHenry’s Law Constant of Noble Gases in Water, Methanol, Ethanol, and Isopropanol by Experiment and Molecular Simulationen
dc.typeArticleen
tub.accessrights.dnbdomain*
tub.publisher.universityorinstitutionTechnische Universität Berlinen
dc.identifier.eissn1520-5134-
dc.type.versionacceptedVersionen
dcterms.bibliographicCitation.doi10.1021/acs.jced.9b00565en
dcterms.bibliographicCitation.journaltitleJournal of Chemical and Engineering Dataen
dcterms.bibliographicCitation.originalpublisherplaceColumbus, Ohioen
dcterms.bibliographicCitation.volume65en
dcterms.bibliographicCitation.pageend1188en
dcterms.bibliographicCitation.pagestart1180en
dcterms.bibliographicCitation.originalpublishernameAmerican Chemical Society (ACS)en
dcterms.bibliographicCitation.issue3en
tub.affiliationFak. 3 Prozesswissenschaften » Inst. Prozess- und Verfahrenstechnik » FG Thermodynamik und Thermische Verfahrenstechnikde
Appears in Collections:Technische Universität Berlin » Publications

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