Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures

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dc.contributor.author Ploetz, E. A.
dc.contributor.author Smith, Paul E.
dc.date.accessioned 2016-04-04T22:24:00Z
dc.date.available 2016-04-04T22:24:00Z
dc.identifier.uri http://hdl.handle.net/2097/32262
dc.description Citation: Ploetz, E. A., & Smith, P. E. (2015). Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures. Journal of Chemical Physics, 142(9), 14. doi:10.1063/1.4913514
dc.description Kirkwood-Buff or Fluctuation Solution Theory can be used to provide experimental pair fluctuations, and/or integrals over the pair distribution functions, from experimental thermodynamic data on liquid mixtures. Here, this type of approach is used to provide triplet and quadruplet fluctuations, and the corresponding integrals over the triplet and quadruplet distribution functions, in a purely thermodynamic manner that avoids the use of structure factors. The approach is then applied to binary mixtures of water + methanol and benzene + methanol over the full composition range under ambient conditions. The observed correlations between the different species vary significantly with composition. The magnitude of the fluctuations and integrals appears to increase as the number of the most polar molecule involved in the fluctuation or integral also increases. A simple physical picture of the fluctuations is provided to help rationalize some of these variations. (C) 2015 AIP Publishing LLC.
dc.relation.uri https://doi.org/10.1063/1.4913514
dc.rights Copyright 2015 AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Ploetz, E.A., & Smith, P.E., The Journal of Chemical Physics, Vol. 142, 094504 (2015) and may be found at https://doi.org/10.1063/1.4913514.
dc.rights.uri http://www.sherpa.ac.uk/romeo/issn/0021-9606/
dc.subject Long-Wavelength Limit
dc.subject Thermodata Engine Tde
dc.subject Kirkwood-Buff Theory
dc.subject Thermodynamic Consistency
dc.subject Equilibrium Data
dc.subject Software Implementation
dc.title Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures
dc.type Article
dc.date.published 2015
dc.citation.doi 10.1063/1.4913514
dc.citation.issn 0021-9606
dc.citation.issue 9
dc.citation.jtitle Journal of Chemical Physics
dc.citation.spage 14
dc.citation.volume 142
dc.contributor.authoreid pesmith


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