Characterization of Aprotic Solutes and Solvents using Abraham Model Correlations

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Experimental data were obtained for the computation of mole fraction solubilities of three dichloronitrobenzenes in organic solvents at 25oC, and solubility ratios were obtained from this data. Abraham model equations were developed for solutes in tributyl phosphate that describe experimental values to within 0.15 log units, and correlations were made to describe solute partitioning in systems that contain either "wet" or "dry" tributyl phosphate. Abraham model correlations have also been developed for solute transfer into anhydrous diisopropyl ether, and these correlations fit in well with those for other ethers. Abraham correlations for the solvation of enthalpy have been derived from ... continued below

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Brumfield, Michela Lynne December 2016.

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  • Brumfield, Michela Lynne

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Experimental data were obtained for the computation of mole fraction solubilities of three dichloronitrobenzenes in organic solvents at 25oC, and solubility ratios were obtained from this data. Abraham model equations were developed for solutes in tributyl phosphate that describe experimental values to within 0.15 log units, and correlations were made to describe solute partitioning in systems that contain either "wet" or "dry" tributyl phosphate. Abraham model correlations have also been developed for solute transfer into anhydrous diisopropyl ether, and these correlations fit in well with those for other ethers. Abraham correlations for the solvation of enthalpy have been derived from experimental and literature data for mesitylene, p-xylene, chlorobenzene, and 1,2-dichlorobenzene at 298.15 K. In addition, the enthalpy contribution of hydrogen bonding between these solutes and acidic solvents were predicted by these correlations and were in agreement with an established method. Residual plots corresponding to Abraham models developed in all of these studies were analyzed for trends in error between experimental and calculated values.

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  • December 2016

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  • Feb. 19, 2017, 7:42 p.m.

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  • June 23, 2017, 10:09 a.m.

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Brumfield, Michela Lynne. Characterization of Aprotic Solutes and Solvents using Abraham Model Correlations, thesis, December 2016; Denton, Texas. (digital.library.unt.edu/ark:/67531/metadc955029/: accessed January 18, 2019), University of North Texas Libraries, Digital Library, digital.library.unt.edu; .