Improvement on Coupling Technique Between COMSOL and PHREEQC for the Reactive Transport Simulation

• 발행기관: 한국방사성폐기물학회
• 저자명: Dong Hyuk Lee Hong Jang Hyun Ho Cho Jeonghwan Hwang Jung-Woo Kim
• 간행물 정보: 『Journal of Nuclear Fuel Cycle and Waste Technology (JNFCWT)』Vol.21 No.1, 175~182쪽, 전체 8쪽
• 주제분류: 공학 > 공학일반
• 파일형태: PDF
• 발행일자: 2023.03.30

국문 초록

APro, a modularized process-based total system performance assessment framework, was developed at the Korea Atomic Energy Research Institute (KAERI) to simulate radionuclide transport considering coupled thermal-hydraulic-mechanicalchemical processes occurring in a geological disposal system. For reactive transport simulation considering geochemical reactions, COMSOL and PHREEQC are coupled with MATLAB in APro using an operator splitting scheme. Conventionally, coupling is performed within a MATLAB interface so that COMSOL stops the calculation to deliver the solution to PHREEQC and restarts to continue the simulation after receiving the solution from PHREEQC at every time step. This is inefficient when the solution is frequently interchanged because restarting the simulation in COMSOL requires an unnecessary setup process. To overcome this issue, a coupling scheme that calls PHREEQC inside COMSOL was developed. In this technique, PHREEQC is called through the “MATLAB function” feature, and PHREEQC results are updated using the COMSOL “Pointwise Constraint” feature. For the one-dimensional advection-reaction-dispersion problem, the proposed coupling technique was verified by comparison with the conventional coupling technique, and it improved the computation time for all test cases. Specifically, the more frequent the link between COMSOL and PHREEQC, the more pronounced was the performance improvement using the proposed technique.

키워드

COMSOL PHREEQC MATLAB Operator splitting SNIA