Phase field and level set methods for modeling solute precipitation and/or dissolution

Journal Article · Sun Jan 01 04:00:00 EST 2012 · Computer Physics Communications

OSTI ID:1035912

Xu, Zhijie; Huang, Hai; Meakin, Paul

The dynamics of solid-liquid interfaces controlled by solute precipitation and/or dissolution due to the chemical reaction at the interface were computed in two dimensions using a phase field models. Sharp-interface asymptotic analysis demonstrated that the phase field solutions should converge to the proper sharp-interface precipitation/dissolution limit. For the purpose of comparison, the numerical solution of the sharp-interface model for solute precipitation/dissolution was directly solved using a level set method. In general, the phase field results are found in good agreement with the level set results for all reaction rates and geometry configurations investigated. Present study supports the applications of both methods to more complicated and realistic reactive systems, including the nuclear waste release and mineral precipitation and dissolution

• Research Organization: Idaho National Laboratory (INL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC07-05ID14517
• OSTI ID: 1035912
• Report Number(s): INL/JOU-12-25012
• Journal Information: Computer Physics Communications, Journal Name: Computer Physics Communications Journal Issue: 1 Vol. 183; ISSN 0010-4655; ISSN CPHCBZ
• Country of Publication: United States
• Language: English

Related Subjects

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES
99 GENERAL AND MISCELLANEOUS
CHEMICAL REACTIONS
DIMENSIONS
DISSOLUTION
GEOMETRY
NUMERICAL SOLUTION
PRECIPITATION
RADIOACTIVE WASTES
REACTION KINETICS
SIMULATION
SOLUTES