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• W2510171495 abstract "Montmorillonite (MMT) constitutes most of fine-grained sedimentary rock, such as shale, mudstone, and siltstone. It is also applied in underground storage of carbon dioxide, petroleum drilling engineering, and material engineering. Although adsorption and mechanical behavior in MMT–H2O–CO2 is widely studied, little is known about interplay between them. In this work, we have investigated the interplay between mechanical behavior and adsorption in MMT with different proportion of H2O and CO2 content under super critical condition by molecular dynamic (MD) method. With respect to the calculated results, adsorption of H2O and CO2 can diminish stiffness of MMT. Meanwhile, diffusion of H2O and CO2 weakens because of stronger constrains deriving from geometry structure and hydrogen bond as the system undergoing compression test. Moreover, motion of H2O is restrained by CO2 molecules as self-diffusion coefficient decrease with the increase of CO2. Hydrated MMT is more sensitive to deformation vertical to clay sheet which is confirmed by comparing changing tend of potential energy and stress. Process of adsorption can yield the stiffness of MMT structures while compression loading can slow down diffusion motions of adsobates. This impact we have revealed here is meaningful to understand mechanical properties of swelling MMT." @default.
• W2510171495 created "2016-09-16" @default.
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• W2510171495 date "2015-09-14" @default.
• W2510171495 modified "2023-09-28" @default.
• W2510171495 title "Interplay of Montmorillonite–H₂O–scCO₂ System between Mechanical Behavior and Adsorption: Molecular Dynamics" @default.
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• W2510171495 doi "https://doi.org/10.1021/acs.jpcc.5b04873" @default.
• W2510171495 hasPublicationYear "2015" @default.
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