Results 231 to 240 of about 272,199 (280)

A parallel algorithm for the global minimizationof Gibbs free energy

Annals of Operations Research, 1999
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
S. Berner, K. I. M. McKinnon, C. Millar
openaire   +1 more source

Gibbs and Helmholtz Free Energies

2020
Two state functions have been formulated based on the spontaneity criterion for a given process, i.e. the positive entropy production: Gibbs free energy (for constant pressure and constant temperature conditions) and Helmholtz free energy (for constant volume and constant temperature conditions).
openaire   +1 more source

Excess gibbs free energy of mixing

Fluid Phase Equilibria, 1993
Abstract Narayanan, K.V. and Ananth, M.S., 1993. Excess Gibbs free energy of mixing. Fluid Phase Equilibria, 91: 77-86. The statistical mechanical approach to developing excess Gibbs free energy models for liquids using lattice theories in the Canonical ensemble is reexamined numerically in the light of the fundamental observations of Sandler et al.
K.V. Narayanan, M.S. Ananth
openaire   +1 more source

Gibbs free energy: The criteria for spontaneity

Journal of Chemical Education, 1992
This demonstration is useful in presenting a physical model for the four possible combinations of entropy and enthalpy to predict the spontaneity of a reaction.
Ronald J. Greaves, Kenneth D. Schlecht
openaire   +1 more source

Estimation of Gibbs Free Energy Functions

Journal of the American Ceramic Society, 1976
A computational method has been derived for the estimation of the molar heat capacity contribution to the Gibbs free energy function (fef T O ) above 298°K. This method, which is based on the observed temperature invariance of certain ratios of the integrals of these molar
openaire   +1 more source

A Gibbs free energy correlation for automated docking of carbohydrates

Journal of Computational Chemistry, 2007
AbstractThermodynamic information can be inferred from static atomic configurations. To model the thermodynamics of carbohydrate binding to proteins accurately, a large binding data set has been assembled from the literature. The data set contains information from 262 unique protein–carbohydrate crystal structures for which experimental binding ...
Anthony D. Hill, Peter J. Reilly
openaire   +2 more sources

Gibbs Free Energy of Liquid Drops on Conical Fibers

Langmuir, 2011
Small drops can move spontaneously on conical fibers. As a drop moves along the cone, it must change shape to maintain a constant volume, and thus, it must change its surface energy. Simultaneously, the exposed surface area of the underlying cone must also change.
Stephen, Michielsen, Jinlin, Zhang, Jinmei, Du, Hoon Joo, Lee   +3 more
openaire   +2 more sources

A Gibbs Free Energy-Based Assessment of Microbial Electrocatalysis

Trends in Biotechnology, 2017
The use of microbial catalysts for electrode reactions enables novel bioremediation and bioproduction processes. To understand the electrochemical performance of the electrode reactions, knowledge of their thermodynamics is essential. We elaborate here on the Growth Reference System (GRS), simplifying thermodynamic calculations in the aforementioned ...
Sylvia Gildemyn, René A. Rozendal, Korneel Rabaey   +2 more
openaire   +2 more sources

The Free Energy and Gibbs Measure

2013
In Sect.1.1, we will introduce the Sherrington–Kirkpatrick model and a family of closely related mixed p-spin models and give some motivation for the problem of computing the free energy in these models. A solution of this problem in Chap.?? will be based on a description of the structure of the Gibbs measure in the thermodynamic limit and in this ...
openaire   +1 more source