The Abraham Solvation Model Used for Prediction of Solvent-Solute Interactions and New Methods for Updating Parameters

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The Abraham solvation model (ABSM) is an experimentally derived predictive model used to help predict various solute properties. This work covers various uses for the ABSM including predicting molar enthalpies of vaporization, predicting solvent coefficients for two new solvents (2,2,5,5-tetramethyloxolane and diethyl carbonate), predicting values for multiple new ionic liquids (ILs). This work also introduces a novel method for updating IL ABSM parameters by updating cation- and anion-specific values using linear algebra and binary matrices.

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xii, 313 pages

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Churchill, Brittani N. May 2021.

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This dissertation is part of the collection entitled: UNT Theses and Dissertations and was provided by the UNT Libraries to the UNT Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 91 times. More information about this dissertation can be viewed below.

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  • Churchill, Brittani N

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The Abraham solvation model (ABSM) is an experimentally derived predictive model used to help predict various solute properties. This work covers various uses for the ABSM including predicting molar enthalpies of vaporization, predicting solvent coefficients for two new solvents (2,2,5,5-tetramethyloxolane and diethyl carbonate), predicting values for multiple new ionic liquids (ILs). This work also introduces a novel method for updating IL ABSM parameters by updating cation- and anion-specific values using linear algebra and binary matrices.

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xii, 313 pages

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  • May 2021

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  • May 26, 2021, 9:04 p.m.

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  • Sept. 21, 2023, 4:04 p.m.

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Churchill, Brittani N. The Abraham Solvation Model Used for Prediction of Solvent-Solute Interactions and New Methods for Updating Parameters, dissertation, May 2021; Denton, Texas. (https://digital.library.unt.edu/ark:/67531/metadc1808352/: accessed May 23, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .

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