Phase-Field Modeling of Solute Precipitation and Dissolution
Journal Article
·
· Journal of Chemical Physics
OSTI ID:936873
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.
- Research Organization:
- Idaho National Laboratory (INL)
- Sponsoring Organization:
- DOE - SC
- DOE Contract Number:
- AC07-99ID13727
- OSTI ID:
- 936873
- Report Number(s):
- INL/JOU-08-14136
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 129; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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