UNT Scholarly Works - 775 Matching Results

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Further calculations on solubility of 2-chloro-3-(trifluoromethyl)pyridine in ethanol + 1-propanol solvent mixtures at various temperatures

Description: 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)
Partner: UNT College of Arts and Sciences

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

Description: 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
Partner: UNT College of Arts and Sciences

Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals

Description: This article presents the calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules using a common computer algorithm on the basis of a group-additivity method.
Date: June 25, 2017
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences

Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation

Description: This article discusses the use of neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N₂, O₂, and CO₂.
Date: March 9, 2017
Creator: Moghadam, Peyman Z.; Ivy, Joshua F.; Arvapally, Ravi K.; dos Santos, Antonio M.; Pearson, John C.; Zhang, Li et al.
Partner: UNT College of Arts and Sciences

Redox non-innoence permits catalytic nitrene carbonylation by (dadi)Ti=NAd (Ad = adamantyl)

Description: This article describes (dadi)Ti(X/L) species that manifest redox non-innocence (RNI), including a rare instance in which carbon monoxide does not affect redox activity at the metal, and does not bind, thus permitting its use as a substrate in catalysis.
Date: March 3, 2017
Creator: Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R. & MacMillan, Samantha N.
Partner: UNT College of Arts and Sciences

Comment on "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed sovlents at temperatures from 293.15 to 333.15 K"

Description: This article provides comments on the article "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K" published in the Journal of Chemical and Engineering Data in 2016.
Date: December 7, 2016
Creator: Acree, William E. (William Eugene); Barrera, Maribel & Abraham, M. H. (Michael H.)
Partner: UNT College of Arts and Sciences

Relative Rate and Product Studies of the Reactions of Atomic Chlorine with Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and Hexafluoro-1,3-butadiene in the Presence of Oxygen

Description: This article assesses rates of reactions in the context of atmospheric chemistry.
Date: August 31, 2016
Creator: Herath, Thushani N.; Clinch, Eric C.; Orozco, Ivan; Raign, Erin L. & Marshall, Paul
Partner: UNT College of Arts and Sciences

Commentary on "Solubility and solution thermodynamics of cetilistat in water and (acetone, isopropyl alcohol, acetonitrile) binary solvent mixtures"

Description: This article reanalyzes experimental solubility data reported in the recent paper "Solubility and solution thermodynamics of cetilistat in water and (acetone, isopropyl alcohol, acetonitrile) binary solvent mixtures" in the Journal of Molecular Liquids.
Date: January 17, 2017
Creator: Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences

Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K

Description: This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.
Date: January 7, 2017
Creator: Cárdenas, Zaira J.; Jiménez, Daniel M.; Delgado, Daniel R.; Almanza, Ovidio A.; Jouyban, Abolghasem; Martínez, Fleming et al.
Partner: UNT College of Arts and Sciences

Commentary on "Measurement and Correlation of the Solubility of Telmisartan (Form A) in Nine Different Solvents from 277.85 to 338.35 K"

Description: This article presents the correct computation methodology for determining solute descriptors from experimental solubility data.
Date: November 11, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
Partner: UNT College of Arts and Sciences

Commentary on "Effect of β-alanine and the solvent composition on the solubility of solvate of calcium D-pantothenate containing four molecules of methanol and one molecule of water (D-PC·4MeOH·1H₂O)"

Description: This article points out problems associated with two of the mathematical treatments used by authors Han et al. (2017) for the solubility behavior of calcium D-panthenate solvate as the mole fraction concentration β-alanine approaches zero.
Date: February 7, 2017
Creator: Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences

Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents

Description: This article calculates Abraham model solute descriptors for 5-nitro-8-hydroxyquinoline, 2-methyl-6-nitroaniline, and terephthaldialdehyde using experimental solubility data taken from papers published in The Journal of Chemical Thermodynamics in 2016.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
Partner: UNT College of Arts and Sciences

Commentary on "Thermodynamic equilibrium of hydroxyacetic acid in pure and binary solvent systems"

Description: This article discusses published mathematical representations by Huant et al. (2017) for describing how the measured mole fraction solubility varies with solvent composition in the binary (ethanol + ethyl acetate) and binary (acetone + ethanol) solvent systems.
Date: February 2, 2017
Creator: Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences

Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: prediction and analysis of intermolecular interaction contributions

Description: This article studies thermochemistry of solvation of inert gases and organic solutes in ethylene glycol was thoroughly studied using solution calorimetry technique.
Date: December 24, 2016
Creator: Stolov, Mikhail; Zaitseva, Ksenia V.; Varfolomeev, Mikhail A. & Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences

Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures

Description: This article discusses the determination of the solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures at five different temperatures from 293.15 K to 313.15 K. The Jouyban-Acree model was used to correlate/predict the solubility values.
Date: February 2, 2016
Creator: Delgado, Daniel R.; Almanza, Ovidio A.; Martínez, Fleming; Peña, María Á.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences

A Dual-Modality System for Both Multi-Color Ultrasound-Switchable Fluorescence and Ultrasound Imaging

Description: This article discusses the development of a dual-modality imaging system by combining recently developed ultrasound-switchable fluorescence (USF) imaging technology with the conventional ultrasound (US) B-mode imaging.
Date: February 4, 2017
Creator: Kandukuri, Jayanth; Yu, Shuai; Cheng, Bingbing; Bandi, Venugopal; D'Souza, Francis; Nguyen, Kytai T. et al.
Partner: UNT College of Arts and Sciences

Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry

Description: This article uses the relativistic-pseudopotential correlation consistent approach (rp-ccCA) to determine the enthalpy of formation of 24 first row (3d) transition metal compounds.
Date: May 22, 2015
Creator: Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
Partner: UNT College of Arts and Sciences