Mathematical Correlations for Describing Solute Transfer into Functionalized Alkane Solvents Containing Hydroxyl, Ether, Ester or Ketone Solvents

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This article discusses mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents.

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29 p.

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Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Ye, Shulin; Achi, Sai S.; Acree, William E. (William Eugene) et al. November 15, 2010.

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This article discusses mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents.

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29 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.2010.07.007

Abstract: Gas-to-liquid and water-to-liquid partition coefficients have been compiled for more than 2800 different solute-solvent combinations. Solutes considered include acyclic monofunctional alkanols, dialkyl ethers, alkyl alkanoates and alkanones, as well difunctional alkoxyalcohols. 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 0.15 and 0.16 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH3, CH2, CH, C, OH, O, C(O)O and C=O fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous alkanol, dialkyl ether, alkyl alkanolate, alkanone and alkoxyalkanol solvents.

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  • Fluid Phase Equilibria, 2010, New York: Elsevier Science Ltd., pp. 48-53

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  • Publication Title: Fluid Phase Equilibria
  • Volume: 298
  • Issue: 1
  • Page Start: 48
  • Page End: 53
  • Peer Reviewed: Yes

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  • November 15, 2010

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  • April 26, 2013, 10:06 a.m.

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  • April 1, 2015, 1:40 p.m.

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Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Ye, Shulin; Achi, Sai S.; Acree, William E. (William Eugene) et al. Mathematical Correlations for Describing Solute Transfer into Functionalized Alkane Solvents Containing Hydroxyl, Ether, Ester or Ketone Solvents, article, November 15, 2010; [New York, New York]. (digital.library.unt.edu/ark:/67531/metadc157290/: accessed October 22, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.