Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures (open access)

Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures

This article determines the equilibrium solubility of benzoic acid in water and ethanol, as well as in nine {ethanol (1) + water (2)} mixtures from T = (293.15 to 323.15) K. The thermodynamic results presented could be useful in optimizing different physical and chemical processes involving benzoic acid in mixed aqueous-ethanol media.
Date: August 1, 2022
Creator: Akay, Sema; Kayan, Berkant; Peña, M. Ángeles; Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings (open access)

Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings

Article describes how continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all atomistic simulations. However, some challenges with the implementation of these models in plane-wave simulation packages still persists, and to address these challenges, the authors present the implementation of a double-cell formalism, in which the simulation cell used for the continuum environment is uncoupled from the one used for the electronic-structure simulation of the quantum-mechanical system.
Date: August 1, 2023
Creator: Medrano, G.; Bainglass, E. & Andreussi, O.
Object Type: Article
System: The UNT Digital Library
NSF-BSF: Mechanism of Cuticle Remodeling by Hypoxia (open access)

NSF-BSF: Mechanism of Cuticle Remodeling by Hypoxia

Data management plan for the grant, "NSF-BSF: Mechanism of Cuticle Remodeling by Hypoxia."
Date: 2023-08-01/2027-07-31
Creator: Padilla, Pamela A.
Object Type: Text
System: The UNT Digital Library
Electron Irradiation of Graphene in Air at Atmospheric Pressure: a Method for Hydrogenating Graphene for Hydrogen Storage Applications (open access)

Electron Irradiation of Graphene in Air at Atmospheric Pressure: a Method for Hydrogenating Graphene for Hydrogen Storage Applications

Data management plan for the grant, "Electron Irradiation of Graphene in Air at Atmospheric Pressure: a Method for Hydrogenating Graphene for Hydrogen Storage Applications."
Date: 2023-08-01/2026-07-31
Creator: Pérez, José M.
Object Type: Text
System: The UNT Digital Library
Regulators of von Willebrand Factor Levels (open access)

Regulators of von Willebrand Factor Levels

Data management plan for the grant "Regulators of von Willebrand Factor Levels." Von Willebrand Disease is the most prevalent bleeding disease. In one of the types called type 1 von Willebrand Disease, the disease-causing genes are not known. Using zebrafish as a model, this project proposes to identify genes that cause the disease by crippling the genes by knockdown methods, and such identification may lead to not only the identification of mutations in the corresponding human genes but also to a better diagnosis.
Date: 2021-08-01/2024-07-31
Creator: Jagadeeswaran, Pudur
Object Type: Text
System: The UNT Digital Library
Metal Oxynitrides: Tuning Metal-N and Metal-O Interactions for Improved Electrocatalytic Properties at the Liquid/Solid Interface (open access)

Metal Oxynitrides: Tuning Metal-N and Metal-O Interactions for Improved Electrocatalytic Properties at the Liquid/Solid Interface

Data management plan for the grant "Metal Oxynitrides: Tuning Metal-N and Metal-O Interactions for Improved Electrocatalytic Properties at the Liquid/Solid Interface." Research investigating the fundamental chemical interactions relevant to the conversion of dinitrogen to ammonia via more energy-efficient routes. The studies will help in understanding the chemical and material factors that are most important for optimizing new materials for ammonia production from dinitrogen, and applications to other important industrial reactions.
Date: 2021-08-01/2024-07-31
Creator: Kelber, Jeffry A.; Cundari, Thomas R., 1964- & D'Souza, Francis
Object Type: Text
System: The UNT Digital Library