Pinar CITLI thesis defense

Address:

IMT Atlantique - Campus de Nantes - Amphi Besse

Ms Pinar Citli from the department and laboratory Subatech : will present her research about :

"Molecular modeling of hydrogen gas adsorption in hydrated clay environments in the context of geological disposal of radioactive waste"

 

Keywords: Molecular simulations, adsorption, clays, montmorillonite, hydrogen

 

Thesis defense notice

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Clay-rich formations are considered as optimal host rock for deep geological repository facilities for high-level radioactive waste. Gas, particularly H2, may form during long-term storage through mechanisms such as anoxic corrosion and water radiolysis, potentially leading to gas pressure buildup and fractures in the surrounding host rock. Molecular-scale understanding of H2 behavior in clay is essential for safe geological disposal
and storage, and for the developing effective strategies. In this thesis, montmorillonite, which is widely found in host rock compositions and used as an engineered barrier, is chosen as the clay model. Atomistic simulations of H2 adsorption within the interlayers of hydrated Na-, Ca-, and Cs-montmorillonites are conducted at 25, 50, and 90◦C, up to 120 bar using Monte Carlo and hybrid methods. To this end, the impact of several other factors factors, including the presence of water and pore size are investigated, aiming to improve the fundamental understanding of the physical and chemical processes governing interactions among H2, aqueous solutions, and clay. Furthermore, hydrogen adsorption under extreme conditions is explored to determine the point of saturation in clays.

Organizer(s)

As part of the joint thesis accreditation between IMT Atlantique and the 3MG doctoral school

Published on 15.02.2024
 
 
 
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