Počet záznamů: 1
Toward a Simple Molecular Theory of Hydrophobic Hydration.
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SYSNO ASEP 0485688 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Toward a Simple Molecular Theory of Hydrophobic Hydration. Tvůrce(i) Jirsák, Jan (UCHP-M) RID, ORCID, SAI
Škvor, J. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAIZdroj.dok. Journal of Molecular Liquids. - : Elsevier - ISSN 0167-7322
Roč. 189, SI (2014), s. 13-19Poč.str. 7 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova perturbation theory ; primitive models ; hydrophobic hydration Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Obor OECD Physical chemistry CEP IAA200760905 GA AV ČR - Akademie věd Institucionální podpora UCHP-M - RVO:67985858 UT WOS 000330912400003 EID SCOPUS 84900547150 DOI 10.1021/ie404268f Anotace A perturbation theory of water is extended to mixtures, and its application to aqueous solutions of noble gases is presented. The present approach is based on the thermodynamic perturbation theory of the primitive models of associating fluids, substituting the reference pseudo-hard-body term by a hard-sphere/pseudo-hard-body mixture term and introducing appropriate corrections. The primitive models are constructed in a rigorous way from realistic parents. The procedure yields equations of state allowing for the determination of all residual properties. The residual chemical potential is expressed and subsequently the Henry's law constants of noble gases, from He to Xe, are evaluated as functions of temperature showing qualitative agreement with experimental data. Throughout the procedure, no experimental data are used to adjust the parameters or to fine-tune the results. Pracoviště Ústav chemických procesů Kontakt Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Rok sběru 2018
Počet záznamů: 1