Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models

Zhan Chen. "Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models." Molecular Based Mathematical Biology 4.1 (2016): null. <http://eudml.org/doc/288040>.

@article{ZhanChen2016,
abstract = {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.},
author = {Zhan Chen},
journal = {Molecular Based Mathematical Biology},
keywords = {Differential geometry based multiscale model; Nonpolar solvation free energy; Minimization; Eulerian formulation},
language = {eng},
number = {1},
pages = {null},
title = {Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models},
url = {http://eudml.org/doc/288040},
volume = {4},
year = {2016},
}

TY - JOUR
AU - Zhan Chen
TI - Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models
JO - Molecular Based Mathematical Biology
PY - 2016
VL - 4
IS - 1
SP - null
AB - 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.
LA - eng
KW - Differential geometry based multiscale model; Nonpolar solvation free energy; Minimization; Eulerian formulation
UR - http://eudml.org/doc/288040
ER -