In this work, the existence of a global minimizer for the previous Lagrangian formulation of nonpolar solvation model proposed in [1] has been proved. One of the proofs involves a construction of a phase field model that converges to the Lagrangian formulation. Moreover, an Eulerian formulation of nonpolar solvation model is proposed and implemented under a similar parameterization scheme to that in [1]. By doing so, the connection, similarity and difference between the Eulerian formulation and its Lagrangian counterpart can be analyzed. It turns out that both of them have a great potential in solvation prediction for nonpolar molecules, while their decompositions of attractive and repulsive parts are different. That indicates a distinction between phase field models of solvation and our Eulerian formulation.
@article{bwmeta1.element.doi-10_1515_mlbmb-2016-0005,
author = {Zhan Chen},
title = {Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models},
journal = {Molecular Based Mathematical Biology},
volume = {4},
year = {2016},
language = {en},
url = {http://dml.mathdoc.fr/item/bwmeta1.element.doi-10_1515_mlbmb-2016-0005}
}
Zhan Chen. Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models. Molecular Based Mathematical Biology, Tome 4 (2016) . http://gdmltest.u-ga.fr/item/bwmeta1.element.doi-10_1515_mlbmb-2016-0005/