Convergence of Phase-Field Free Energy and Boundary Force for Molecular Solvation

@article{Dai2018ConvergenceOP,
  title={Convergence of Phase-Field Free Energy and Boundary Force for Molecular Solvation},
  author={Shibin Dai and Bo Li and Jianfeng Lu},
  journal={Archive for Rational Mechanics and Analysis},
  year={2018},
  volume={227},
  pages={105-147}
}
We study a phase-field variational model for the solvation of charged molecules with an implicit solvent. The solvation free-energy functional of all phase fields consists of the surface energy, solute excluded volume and solute-solvent van der Waals dispersion energy, and electrostatic free energy. The surface energy is defined by the van der Waals–Cahn–Hilliard functional with squared gradient and a double-well potential. The electrostatic part of free energy is defined through the… CONTINUE READING

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