TY - JOUR
T1 - Review of application of molecular dynamic simulations in geological high-level radioactive waste disposal
AU - Ma, Zhaoyang
AU - Pathegama Gamage, Ranjith
AU - Rathnaweera, Tharaka
AU - Kong, Lie
PY - 2019/2/1
Y1 - 2019/2/1
N2 - This review summarizes current progress in molecular dynamic (MD) simulation in the context of geological high-level radioactive waste disposal (HLRW). Geological HLRW disposal is a long-term thermal-hydraulic-mechanical-chemical (THMC) coupling process; hence, it is difficult to model actual geological HLRW disposal conditions experimentally. MD simulation has been adopted as an alternative method to address geological HLRW disposal issues. This paper reviews the application of MD simulation in geological HLRW disposal in the last two decades. The swelling of clay minerals, and the transport and adsorption properties of ions are reviewed and discussed. The paper concludes with highlights of future directions of MD simulation in HLRW disposal. The application of MD simulation in geological HLRW disposal is still in its infancy and several problems remain to be solved.
AB - This review summarizes current progress in molecular dynamic (MD) simulation in the context of geological high-level radioactive waste disposal (HLRW). Geological HLRW disposal is a long-term thermal-hydraulic-mechanical-chemical (THMC) coupling process; hence, it is difficult to model actual geological HLRW disposal conditions experimentally. MD simulation has been adopted as an alternative method to address geological HLRW disposal issues. This paper reviews the application of MD simulation in geological HLRW disposal in the last two decades. The swelling of clay minerals, and the transport and adsorption properties of ions are reviewed and discussed. The paper concludes with highlights of future directions of MD simulation in HLRW disposal. The application of MD simulation in geological HLRW disposal is still in its infancy and several problems remain to be solved.
KW - Adsorption
KW - High-level radioactive waste
KW - Molecular dynamics
KW - Swelling
KW - Thermal-hydraulic-mechanical-chemical coupling
KW - Transport
UR - https://www.scopus.com/pages/publications/85058648357
U2 - 10.1016/j.clay.2018.11.018
DO - 10.1016/j.clay.2018.11.018
M3 - Review Article
AN - SCOPUS:85058648357
SN - 0169-1317
VL - 168
SP - 436
EP - 449
JO - Applied Clay Science
JF - Applied Clay Science
ER -