dc.contributor.authorPloetz, Elizabeth A.
dc.contributor.authorPallewela, Gayani Nadeera
dc.contributor.authorSmith, Paul E.
dc.identifier.citationPloetz, E. A., Pallewela, G. N., & Smith, P. E. (2017). Fluctuation solution theory of pure fluids. The Journal of Chemical Physics, 146(9), 094501-.en_US
dc.description.abstractFluctuation Solution Theory (FST) provides an alternative view of fluid thermodynamics in terms of pair fluctuations in the particle number and excess energy observed for an equivalent open system. Here we extend the FST approach to provide a series of triplet and quadruplet particle and excess energy fluctuations that can also be used to help understand the behavior of fluids. The fluctuations for the gas, liquid, and supercritical regions of three fluids (H2O, CO2, and SF6) are then determined from accurate equations of state. Many of the fluctuating quantities change sign on moving from the gas to liquid phase and, therefore, we argue that the fluctuations can be used to characterize gas and liquid behavior. Further analysis provides an approach to isolate contributions to the excess energy fluctuations arising from just the intermolecular interactions and also indicates that the triplet and quadruplet particle fluctuations are related to the pair particle fluctuations by a simple power law for large regions of the phase diagram away from the critical point.en_US
dc.format.extent13 p.en_US
dc.relation.ispartofseriesThe Journal of Chemical Physicsen_US
dc.rights© 2017 American Institute of Physics (AIP). This paper was published in The Journal of Chemical Physics and is made available as an electronic reprint (preprint) with permission of American Institute of Physics (AIP). The published version is available at: [http://dx.doi.org/10.1063/1.4977040]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.en_US
dc.subjectParticle fluctuationsen_US
dc.subjectPhase diagramsen_US
dc.titleFluctuation solution theory of pure fluidsen_US
dc.typeJournal Article
dc.contributor.researchEnergy Research Institute @NTUen_US
dc.description.versionPublished versionen_US

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