Results 31 to 40 of about 8,667,788 (154)

Gibbs Free Energy Example

open access: yes, 2012
Educação Superior::Ciências Exatas e da Terra::QuímicaThis educational object contain an example of a chemical reaction and Gibbs free energy is used to determine if the reaction is spontaneous or notKnowledge about chemical reaction; Enthalpy and ...
khan academy
core   +2 more sources

Advancements in thermochemical predictions: a multi-output thermodynamics-informed neural network approach

open access: yesJournal of Cheminformatics
The Gibbs free energy of an inorganic material represents its maximum reversible work potential under constant temperature and pressure. Its calculation is crucial for understanding material stability, phase transitions, and chemical reactions, thus ...
Raheel Hammad, Sownyak Mondal
doaj   +1 more source

Gibbs Free Energy and Enthalpy–Entropy Compensation in Protein Folding

open access: yesBiophysica
The thermodynamic study of protein folding shows the generation of a narrow range of ΔG° values, as a net result of large changes in the ΔH° and TΔS° values of the folding process.
María J. Benítez, Juan S. Jiménez
doaj   +1 more source

Thermodynamic, structural, surface and transport properties of Au-Ni liquid alloy at 1150 K

open access: yesBibechana, 2021
Thermodynamic, structural, surface, and transport properties of Au-Ni liquid alloy at 1150 K were computed using different theoretical approaches. The thermodynamic properties, such as excess Gibbs free energy of mixing, enthalpy of mixing, activity and
S K Yadav, N Chaudhary, D Adhikari
doaj   +3 more sources

Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid–Liquid Interface with Computer Simulations [PDF]

open access: yes, 2013
We introduce the novel concept of an intrinsic free energy profile, allowing one to remove the artificial smearing caused by thermal capillary waves, which renders difficulties for the calculation of free energy profiles across fluid interfaces in ...
D. S. Cordeiro, M. Natalia   +13 more
core   +1 more source

Thermodynamic Excess Properties and Intermolecular Interaction Using Fourier Transform Infrared for the Dodecylbenzenesulfonic Acid-Acetone Binary Liquid Mixture

open access: yesARO-The Scientific Journal of Koya University, 2017
Density, viscosity, and  surface tension for the DBSA-Acetone system at the temperatures (293.15, 298.15, 301.15 K) have been investigated experimentally.
Ali A. Jazie
doaj   +1 more source

GMIN: A computerized chemical equilibrium model using a constrained minimization of the Gibbs free energy [PDF]

open access: yes, 1990
This document is a user's manual and technical reference for the computerized chemical equilibrium model GMIN. GMIN calculates the chemical composition of systems composed of pure solid phases, solid-solution phases, gas phases, adsorbed phases, and the ...
A.R. Felmy, Felmy, A.R.
core   +1 more source

Gibbs variational principles and Boltzmann irreversible theorem

open access: yesRevista Brasileira de Ensino de Física
We analyze the Gibbs variational principles associated with the probability distributions of (i) an isolated system and (ii) a system at constant temperature.
Mário J. de Oliveira, Silvio R. Salinas
doaj   +1 more source

Linking structure and process in dendritic growth using persistent homology with energy analysis

open access: yesScience and Technology of Advanced Materials: Methods
We present a material analysis method that links structure and process in dendritic growth using explainable machine learning approaches. We employed persistent homology (PH) to quantitatively characterize the morphology of dendritic microstructures.
Misato Tone   +12 more
doaj   +1 more source

Estimation of Gibbs free energy difference in Pd-based bulk metallic glasses [PDF]

open access: yesChina Foundry, 2008
A new thermodynamic expression for Gibbs free energy difference ΔG between the under-cooled liquid and the corresponding crystals of bulk metallic glasses was derived.
Cai Anhui, Xiong Xiang, Liu Yong
doaj  

Home - About - Disclaimer - Privacy