Commentary on “Experimental Measurements and Equilibrium Study of Functional D-Sorbitol in Good and Anti-Solvent Binary Mixtures” (open access)

Commentary on “Experimental Measurements and Equilibrium Study of Functional D-Sorbitol in Good and Anti-Solvent Binary Mixtures”

This article provides a commentary on the published equation coefficients for mathematically describing the solubility behavior of D-sorbitol in binary acetonitrile + ethanol solvent mixtures using the modified Apelblat, Combined Nearly Ideal Binary Solvent/Redlich-Kister (CNIBS/R-K) and Jouyban-Acree models.
Date: June 17, 2017
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Dioxygen: What Makes This Triplet Diradical Kinetically Persistent? (open access)

Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?

This article examines experimental heats of formation and enthalpies obtained from G4 calculations to find that the resonance stabilization of the two unpaired electrons in triplet O₂, relative to the unpaired electrons in two hydroxyl radicals, amounts to 100 kcal/mol.
Date: June 14, 2017
Creator: Borden, Weston T.; Hoffmann, Roald; Stuyver, Thijs & Chen, Bo
Object Type: Article
System: The UNT Digital Library
Computational investigation of O₂ diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O₂ transport (open access)

Computational investigation of O₂ diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O₂ transport

This article discusses the use of computational simulations to investigate possible migration pathways inside AlkB for O₂ molecules.
Date: June 3, 2017
Creator: Torabifard, Hedieh & Cisneros, Gerardo Andrés
Object Type: Article
System: The UNT Digital Library

Further Calculations on Solubility of 2-Chloro-3-(Trifluoromethyl)Pyridine in Ethanol + 1-Propanol Solvent Mixtures at Various Temperatures

This article reports on the reanalysis of reported calculations on solubility data of 2-chloro-3-(trifluoromethyl)pyridine in binary ethanol + 1-propanol solvent mixtures at various temperatures, and several additional points regarding the correlations.
Date: May 25, 2017
Creator: Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library

Commentary on "Correlation of solubility of hexamethylene-1,6-bisthiosulphate disodium salt dihydrate versus dielectric constants of water + ethanol mixtures"

This article discusses the finding that Apelblat model equation coefficients are found to give calculated mole fractions that exceed unity for the solubility of hexamethylene-1,6-bisthiosulphate disodium salt dihydrate dissolved in binary aqueous-ethanol solvent mixtures.
Date: May 19, 2017
Creator: Acree, William E. (William Eugene) & Yang, Chunhui
Object Type: Article
System: The UNT Digital Library
Electrodeposition of Cu-Ni Composite Coatings (open access)

Electrodeposition of Cu-Ni Composite Coatings

This book chapter reviews the electrodeposition of Cu-Ni incorporated with nano- to microparticles to produce metal matrix composites.
Date: March 23, 2016
Creator: Thurber, Casey; Mohamed, Adel M. A. & Golden, Teresa
Object Type: Book Chapter
System: The UNT Digital Library