Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles

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dc.citation.firstpage54902en_US
dc.citation.journalTitleThe Journal of Chemical Physicsen_US
dc.citation.volumeNumber139en_US
dc.contributor.authorMarshall, Bennett D.en_US
dc.contributor.authorChapman, Walter G.en_US
dc.date.accessioned2013-08-12T17:24:33Zen_US
dc.date.available2013-08-12T17:24:33Zen_US
dc.date.issued2013en_US
dc.description.abstractWe develop a new theory for associating fluids with multiple association sites. The theory accounts for small bond angle effects such as steric hindrance, ring formation, and double bonding. The theory is validated against Monte Carlo simulations for the case of a fluid of patchy colloid particles with three patches and is found to be very accurate. Once validated, the theory is applied to study the phase diagram of a fluid composed of three patch colloids. It is found that bond angle has a significant effect on the phase diagram and the very existence of a liquidﾖvapor transition.en_US
dc.embargo.termsnoneen_US
dc.identifier.citationMarshall, Bennett D. and Chapman, Walter G.. "Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles." <i>The Journal of Chemical Physics,</i> 139, (2013) AIP Publishing, LLC: 54902. http://dx.doi.org/10.1063/1.4816665.en_US
dc.identifier.doihttp://dx.doi.org/10.1063/1.4816665en_US
dc.identifier.urihttps://hdl.handle.net/1911/71732en_US
dc.language.isoengen_US
dc.publisherAIP Publishing, LLCen_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.titleMolecular theory for the phase equilibria and cluster distribution of associating fluids with small bond anglesen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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