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

Journal Article · Mon Jan 02 00:00:00 EST 2012 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2011.08.005· OSTI ID:1033052

Xu, Zhijie; Huang, Hai; Li, Xiaoyi; 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. Present study supports the applications of both methods to more complicated and realistic reactive systems.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1033052
• Report Number(s): PNNL-SA-82157; CPHCBZ; AF5831060; TRN: US201202%%554
• Journal Information: Computer Physics Communications, Vol. 183, Issue 1; ISSN 0010-4655
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
CHEMICAL REACTIONS
DIMENSIONS
DISSOLUTION
GEOMETRY
NUMERICAL SOLUTION
PRECIPITATION
REACTION KINETICS
SIMULATION
SOLUTES
phase field
level set
precipitation
dissolution
reaction
diffusion