An efficient kinetic Monte Carlo scheme for computing Helmholtz free energy and entropy in bulk fluids and adsorption systems
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2017.11.099
Abstract: Abstract We present an efficient kinetic Monte Carlo scheme to determine the Helmholtz free energy and entropy of bulk fluids and adsorption systems. The method is made possible because this technique enables the accurate determination… read more here.
Keywords: entropy bulk; entropy; helmholtz free; free energy ... See more keywords
Phase stability analysis for tight porous media by minimization of the Helmholtz free energy
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DOI: 10.1016/j.fluid.2020.112648
Abstract: Abstract This paper presents a new method of phase stability analysis in the presence of capillary pressure by minimization of the Helmholtz free energy. The thermodynamic consistency of phase stability is rigorously preserved between the… read more here.
Keywords: helmholtz free; free energy; phase stability; energy ... See more keywords
Interparticle correlations in the simple cubic lattice of ferroparticles: Theory and computer simulations
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DOI: 10.1016/j.physa.2020.124923
Abstract: Abstract Anisotropic interparticle correlations in the simple cubic lattice of single-domain ferroparticles (SCLF) are studied using both theory and computer simulation. The theory is based on the Helmholtz free energy expansion like classical virial series… read more here.
Keywords: lattice; helmholtz free; interparticle correlations; correlations simple ... See more keywords