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Article: Thermodynamics and structural properties of the dipolar Yukawa fluid

TitleThermodynamics and structural properties of the dipolar Yukawa fluid
Authors
KeywordsPhysics chemistry
Physical 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. 111 n. 1, p. 337-344 How to Cite?
AbstractWe report computer simulations and a theoretical study of the thermodynamics and structure of a dipolar Yukawa system. A comparison between the analytical mean spherical approximation (MSA) solution, perturbation theory and Monte Carlo simulation data of pressure, internal energy and dielectric constant is given. In the perturbation theory, the MSA solution of hard core Yukawa fluid is used as a reference system. It was found that the MSA solution is reasonable only at lower dipole moments, while the perturbation theory gives good results at low and high values of dipole moment. Liquid-vapor coexistence data of dipolar Yukawa fluid are also obtained by Monte Carlo simulation and by both MSA and perturbation theory. It was found that at high dipole moments the liquid-vapor equilibrium disappears while chain-like structures appear in the low density fluid phase. The appearance of chain-like structures of dipolar Yukawa fluid is discussed in comparison with the Stockmayer fluid. © 1999 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/42348
ISSN
2015 Impact Factor: 2.894
2015 SCImago Journal Rankings: 0.959
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorSzalai, Ien_HK
dc.contributor.authorHenderson, Den_HK
dc.contributor.authorBoda, Den_HK
dc.contributor.authorChan, KYen_HK
dc.date.accessioned2007-01-29T08:47:30Z-
dc.date.available2007-01-29T08:47:30Z-
dc.date.issued1999en_HK
dc.identifier.citationJournal Of Chemical Physics, 1999, v. 111 n. 1, p. 337-344en_HK
dc.identifier.issn0021-9606en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42348-
dc.description.abstractWe report computer simulations and a theoretical study of the thermodynamics and structure of a dipolar Yukawa system. A comparison between the analytical mean spherical approximation (MSA) solution, perturbation theory and Monte Carlo simulation data of pressure, internal energy and dielectric constant is given. In the perturbation theory, the MSA solution of hard core Yukawa fluid is used as a reference system. It was found that the MSA solution is reasonable only at lower dipole moments, while the perturbation theory gives good results at low and high values of dipole moment. Liquid-vapor coexistence data of dipolar Yukawa fluid are also obtained by Monte Carlo simulation and by both MSA and perturbation theory. It was found that at high dipole moments the liquid-vapor equilibrium disappears while chain-like structures appear in the low density fluid phase. The appearance of chain-like structures of dipolar Yukawa fluid is discussed in comparison with the Stockmayer fluid. © 1999 American Institute of Physics.en_HK
dc.format.extent150361 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.subjectPhysical chemistryen_HK
dc.titleThermodynamics and structural properties of the dipolar Yukawa fluiden_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-9606&volume=111&issue=1&spage=337&epage=344&date=1999&atitle=Thermodynamics+and+structural+properties+of+the+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.doi10.1063/1.479275en_HK
dc.identifier.scopuseid_2-s2.0-0000696192en_HK
dc.identifier.hkuros50100-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0000696192&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume111en_HK
dc.identifier.issue1en_HK
dc.identifier.spage337en_HK
dc.identifier.epage344en_HK
dc.identifier.isiWOS:000080995500040-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridSzalai, I=7004377443en_HK
dc.identifier.scopusauthoridHenderson, D=7402988756en_HK
dc.identifier.scopusauthoridBoda, D=7005945596en_HK
dc.identifier.scopusauthoridChan, KY=7406034142en_HK

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