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Article: The mean spherical approximation for a dipolar Yukawa fluid

TitleThe mean spherical approximation for a dipolar Yukawa fluid
Authors
KeywordsPhysics chemistry
Issue Date1999
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal Of Chemical Physics, 1999, v. 110 n. 15, p. 7348-7353 How to Cite?
AbstractThe dipolar hard sphere fluid (DHSF) is a useful model of a polar fluid. However, the DHSF lacks a vapor-liquid transition due to the formation of chain-like structures. Such chains are not characteristic of real polar fluids. A more realistic model of a polar fluid is obtained by adding a Lennard-Jones potential to the intermolecular potential. Very similar results are obtained by adding a Yukawa potential, instead of the Lennard-Jones potential. We call this fluid the dipolar Yukawa fluid (DYF). We show that an analytical solution of the mean spherical approximation (MSA) can be obtained for the DYF. Thus, the DYF has many of the attractive features of the DHSF. We find that, within the MSA, the Yukawa potential modifies only the spherically averaged distribution function. Thus, although the thermodynamic properties of the DYF differ from those of the DHSF, the MSA dielectric constant of the DYF is the same as that of the DHSF. This result, and some other predictions, are tested by simulations and are found to be good approximations. © 1999 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/42346
ISSN
2015 Impact Factor: 2.894
2015 SCImago Journal Rankings: 0.959
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorHenderson, Den_HK
dc.contributor.authorBoda, Den_HK
dc.contributor.authorSzalai, Ien_HK
dc.contributor.authorChan, KYen_HK
dc.date.accessioned2007-01-29T08:47:28Z-
dc.date.available2007-01-29T08:47:28Z-
dc.date.issued1999en_HK
dc.identifier.citationJournal Of Chemical Physics, 1999, v. 110 n. 15, p. 7348-7353en_HK
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42346-
dc.description.abstractThe dipolar hard sphere fluid (DHSF) is a useful model of a polar fluid. However, the DHSF lacks a vapor-liquid transition due to the formation of chain-like structures. Such chains are not characteristic of real polar fluids. A more realistic model of a polar fluid is obtained by adding a Lennard-Jones potential to the intermolecular potential. Very similar results are obtained by adding a Yukawa potential, instead of the Lennard-Jones potential. We call this fluid the dipolar Yukawa fluid (DYF). We show that an analytical solution of the mean spherical approximation (MSA) can be obtained for the DYF. Thus, the DYF has many of the attractive features of the DHSF. We find that, within the MSA, the Yukawa potential modifies only the spherically averaged distribution function. Thus, although the thermodynamic properties of the DYF differ from those of the DHSF, the MSA dielectric constant of the DYF is the same as that of the DHSF. This result, and some other predictions, are tested by simulations and are found to be good approximations. © 1999 American Institute of Physics.en_HK
dc.format.extent121221 bytes-
dc.format.extent26624 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jspen_HK
dc.relation.ispartofJournal of Chemical Physicsen_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.subjectPhysics chemistryen_HK
dc.titleThe mean spherical approximation for a dipolar Yukawa fluiden_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=110&issue=15&spage=7348&epage=7353&date=1999&atitle=The+mean+spherical+approximation+for+a+dipolar+Yukawa+fluiden_HK
dc.identifier.emailChan, KY:hrsccky@hku.hken_HK
dc.identifier.authorityChan, KY=rp00662en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1063/1.478636en_HK
dc.identifier.scopuseid_2-s2.0-0000205098en_HK
dc.identifier.hkuros42929-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000205098&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume110en_HK
dc.identifier.issue15en_HK
dc.identifier.spage7348en_HK
dc.identifier.epage7353en_HK
dc.identifier.isiWOS:000079625600028-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridHenderson, D=7402988756en_HK
dc.identifier.scopusauthoridBoda, D=7005945596en_HK
dc.identifier.scopusauthoridSzalai, I=7004377443en_HK
dc.identifier.scopusauthoridChan, KY=7406034142en_HK

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