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dc.creatorPopp, Theodore R. IIIen
dc.creatorHollingshead, Kyle. B.en
dc.creatorTruskett, Thomas M.en
dc.date.accessioned2015-09-09T15:50:38Zen
dc.date.available2015-09-09T15:50:38Zen
dc.date.issued2015-03en
dc.identifier.citationTheodore R. Popp III, Kyle B. Hollingshead, Thomas M. Truskett. Web Applet For Predicting Structure And Thermodynamics Of Complex Fluids. American Journal of Physics, 83, 219-222 (Mar., 2015), DOI: 10.1119/1.4898626en
dc.identifier.issn0002-9505en
dc.identifier.urihttp://hdl.handle.net/2152/31113en
dc.description.abstractBased on a recently introduced analytical strategy [Hollingshead et al., J. Chem. Phys. 139, 161102 (2013)], we present a web applet that can quickly and semi-quantitatively estimate the equilibrium radial distribution function and related thermodynamic properties of a fluid from knowledge of its pair interaction. We describe the applet's features and present two (of many possible) examples of how it can be used to illustrate concepts of interest for introductory statistical mechanics courses: the transition from ideal gas-like behavior to correlated-liquid behavior with increasing density, and the tradeoff between dominant length scales with changing temperature in a system with ramp-shaped repulsions. The latter type of interaction qualitatively captures distinctive thermodynamic properties of liquid water, because its energetic bias toward locally open structures mimics that of water's hydrogen-bond network. (C) 2015 American Association of Physics Teachers.en
dc.description.sponsorshipen
dc.language.isoEnglishen
dc.rightsAdministrative deposit of works to Texas ScholarWorks: This works author(s) is or was a University faculty member, student or staff member; this article is already available through open access or the publisher allows a PDF version of the article to be freely posted online. The library makes the deposit as a matter of fair use (for scholarly, educational, and research purposes), and to preserve the work and further secure public access to the works of the University.en
dc.subjectradial-distribution functionen
dc.subjectuniversal scaling lawen
dc.subjectphysicsen
dc.subjectsystemen
dc.subjectmodelen
dc.subjectsimulationsen
dc.subjecttransporten
dc.subjecteducation, scientific disciplinesen
dc.subjectphysics, multidisciplinaryen
dc.titleWeb Applet For Predicting Structure And Thermodynamics Of Complex Fluidsen
dc.typeArticleen
dc.rights.holderen
dc.description.departmentChemical Engineeringen
dc.identifier.doi10.1119/1.4898626en
dc.identifier.urlen
dc.contributor.utaustinauthorPopp, Theodore R. IIIen
dc.contributor.utaustinauthorHollingshead, Kyle. B.en
dc.contributor.utaustinauthorTruskett, Thomas M.en
dc.relation.ispartofserialAmerican Journal of Physicsen


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