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Article: Non-equilibrium molecular dynamics simulation study of the frequency dependent conductivity of a primitive model electrolyte in a nanopore

TitleNon-equilibrium molecular dynamics simulation study of the frequency dependent conductivity of a primitive model electrolyte in a nanopore
Authors
Issue Date2002
PublisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/00268976.asp
Citation
Molecular Physics, 2002, v. 100 n. 10, p. 1497-1505 How to Cite?
AbstractThe frequency dependence of electrical conductivity in a 0.1 molar univalent restricted primitive model electrolyte confined in cylindrical pores is studied by non-equilibrium molecular dynamics simulations. At high frequencies, conductivity is independent of pore size and approaches the zero value limit. The phase lag is independent of pore size and approaches the value π/2 at high frequency. At low frequencies, the conductivity is relatively constant and approaches the zero frequency (dc) conductivity value. For pores with radius smaller than 3 times the ion diameter, severe confinement effects lead to different low frequency behaviour. In these very small pores, axial collisions increase at low frequency and lead to much lower conductivity and a negative phase shift. The current response in severely confined electrolytes can be analogous to an LRC circuit with resonance at a characteristic frequency.
Persistent Identifierhttp://hdl.handle.net/10722/70393
ISSN
2015 Impact Factor: 1.837
2015 SCImago Journal Rankings: 0.781
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorTang, YWen_HK
dc.contributor.authorSzalai, Ien_HK
dc.contributor.authorChan, KYen_HK
dc.date.accessioned2010-09-06T06:22:27Z-
dc.date.available2010-09-06T06:22:27Z-
dc.date.issued2002en_HK
dc.identifier.citationMolecular Physics, 2002, v. 100 n. 10, p. 1497-1505en_HK
dc.identifier.issn0026-8976en_HK
dc.identifier.urihttp://hdl.handle.net/10722/70393-
dc.description.abstractThe frequency dependence of electrical conductivity in a 0.1 molar univalent restricted primitive model electrolyte confined in cylindrical pores is studied by non-equilibrium molecular dynamics simulations. At high frequencies, conductivity is independent of pore size and approaches the zero value limit. The phase lag is independent of pore size and approaches the value π/2 at high frequency. At low frequencies, the conductivity is relatively constant and approaches the zero frequency (dc) conductivity value. For pores with radius smaller than 3 times the ion diameter, severe confinement effects lead to different low frequency behaviour. In these very small pores, axial collisions increase at low frequency and lead to much lower conductivity and a negative phase shift. The current response in severely confined electrolytes can be analogous to an LRC circuit with resonance at a characteristic frequency.en_HK
dc.languageengen_HK
dc.publisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/00268976.aspen_HK
dc.relation.ispartofMolecular Physicsen_HK
dc.titleNon-equilibrium molecular dynamics simulation study of the frequency dependent conductivity of a primitive model electrolyte in a nanoporeen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0026-8976&volume=100&issue=10&spage=1497&epage=1505&date=2002&atitle=Non-equilibrium+molecular+dynamics+simulation+study+of+the+frequency+dependent+conductivity+of+a+primitive+model+electrolyte+in+a+nanoporeen_HK
dc.identifier.emailChan, KY:hrsccky@hku.hken_HK
dc.identifier.authorityChan, KY=rp00662en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1080/00268970110110257en_HK
dc.identifier.scopuseid_2-s2.0-18744392780en_HK
dc.identifier.hkuros68405en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-18744392780&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume100en_HK
dc.identifier.issue10en_HK
dc.identifier.spage1497en_HK
dc.identifier.epage1505en_HK
dc.identifier.isiWOS:000175789100001-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridTang, YW=7404591157en_HK
dc.identifier.scopusauthoridSzalai, I=7004377443en_HK
dc.identifier.scopusauthoridChan, KY=7406034142en_HK

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