Title of article
Comparison of mesoscopic solvation pressure at constant density and at constant chemical potential
Author/Authors
Balderas Altamirano، نويسنده , , M.A. and Gama Goicochea، نويسنده , , A.، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2011
Pages
6
From page
3846
To page
3851
Abstract
The solvation pressures arising from the confinement of a fluid by surfaces are calculated under two different thermodynamic conditions, namely at constant density and at constant chemical potential, through mesoscopic scale simulations. We consider two types of fluids, a model monomeric solvent on the one hand, and a fluid composed of linear polymers dissolved in a monomeric solvent, on the other. For these systems our simulations show that the prediction of the solvation (or disjoining) pressure when the chemical potential is kept fixed is different from that obtained when the total density is fixed. We find however, that the same trend between both types of simulations can be obtained when the value of the fixed density is chosen as the average value of the density obtained at constant chemical potential.
Keywords
mesoscopic simulation , Solvation pressure , Ensemble equivalence
Journal title
Polymer
Serial Year
2011
Journal title
Polymer
Record number
1737879
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