English

Phase-field modeling of solute precipitation and dissolution

Computational Physics 2018-07-04 v1 Chemical Physics

Abstract

A phase-field approach to the dynamics of liquid-solid interfaces that evolve due to precipitation and/or dissolution is presented. For the purpose of illustration and comparison with other methods, phase field simulations were carried out assuming first order reaction (dissolution/precipitation) kinetics. In contrast to solidification processes controlled by a temperature field that is continuous across the solid/liquid interface (with a discontinuous temperature gradient) precipitation/dissolution is controlled by a solute concentration field that is discontinuous at the solid/liquid interface. The sharp-interface asymptotic analysis of the phase-field equations for solidification [Karma and Rappel, Phys. Rev. E57 (1998) 4342] has been modified for precipitation/dissolution processes to demonstrate that the phase-field equations converge to the proper sharp-interface limit. The mathematical model has been validated for a one-dimensional precipitation/dissolution problem by comparison with the analytical solution.

Keywords

Cite

@article{arxiv.1806.09658,
  title  = {Phase-field modeling of solute precipitation and dissolution},
  author = {Zhijie Xu and Paul Meakin},
  journal= {arXiv preprint arXiv:1806.09658},
  year   = {2018}
}
R2 v1 2026-06-23T02:41:17.064Z