Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients

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This article discusses the development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients.

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25 p.

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Sprunger, Laura M.; Achi, Sai S.; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene) January 25, 2010.

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This article discusses the development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients.

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25 p.

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This is the accepted manuscript version of the article. Reprinted with permission from Elsevier Science Ltd., all rights reserved. The final definitive version is available here: http://dx.doi.org/10.1016/j.fluid.2009.10.028

Abstract: Gas-to-alcohol partition coefficients have been compiled for 1880 different solute-alcohol combinations, which comprised 23 acyclic alcohols. These partition coefficients were converted into water-to-alcohol partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-alcohol and water-to-alcohol partition coefficient data to within 0.14 and 0.15 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH3, CH2, CH, C and OH fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous alcohol solvents.

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  • Fluid Phase Equilibria, 2010, New York: Elsevier Science Ltd., pp. 139-144

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  • Publication Title: Fluid Phase Equilibria
  • Volume: 288
  • Issue: 1-2
  • Page Start: 139
  • Page End: 144
  • Peer Reviewed: Yes

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  • January 25, 2010

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  • April 16, 2013, 8:47 a.m.

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  • April 1, 2015, 1:41 p.m.

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Sprunger, Laura M.; Achi, Sai S.; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene). Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients, article, January 25, 2010; [New York, New York]. (digital.library.unt.edu/ark:/67531/metadc155633/: accessed October 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.