Review of application of molecular dynamic simulations in geological high-level radioactive waste disposal

Zhaoyang Ma; Ranjith Pathegama Gamage; Tharaka Rathnaweera; Lie Kong

doi:10.1016/j.clay.2018.11.018

Review of application of molecular dynamic simulations in geological high-level radioactive waste disposal

Zhaoyang Ma, Ranjith Pathegama Gamage, Tharaka Rathnaweera, Lie Kong

Research output: Contribution to journal › Article › peer-review

54 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	436-449
Number of pages	14
Journal	Applied Clay Science
Volume	168
DOIs	https://doi.org/10.1016/j.clay.2018.11.018
State	Published - Feb 1 2019
Externally published	Yes

Bibliographical note

Generated from Scopus record by KAUST IRTS on 2023-10-23

ASJC Scopus subject areas

Geochemistry and Petrology
Geology

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10.1016/j.clay.2018.11.018

Cite this

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title = "Review of application of molecular dynamic simulations in geological high-level radioactive waste disposal",

abstract = "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.",

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AU - Rathnaweera, Tharaka

AU - Kong, Lie

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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.

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JO - Applied Clay Science

JF - Applied Clay Science

ER -

Review of application of molecular dynamic simulations in geological high-level radioactive waste disposal

Abstract

Bibliographical note

ASJC Scopus subject areas

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