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

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.

Identiferoai:union.ndltd.org:unt.edu/info:ark/67531/metadc1808352
Date05 1900
CreatorsChurchill, Brittani N.
ContributorsAcree, William E. (William Eugene), Verbeck, Guido F., Cisneros, Gerardo Andrés, Dandekar, Sushama A., Anderson, Jared L.
PublisherUniversity of North Texas
Source SetsUniversity of North Texas
LanguageEnglish
Detected LanguageEnglish
TypeThesis or Dissertation
Formatxii, 313 pages, Text
RightsPublic, Churchill, Brittani N, Copyright, Copyright is held by the author, unless otherwise noted. All rights Reserved.

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