Effect of adsorption deformation on thermodynamic characteristics of a fluid in slit pores at sub-critical conditions |
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Authors: | EA Ustinov |
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Affiliation: | Department of Chemical Engineering, University of Queensland, St. Lucia, Queensland 4072, Australia |
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Abstract: | Solvation pressure due to adsorption of fluids in porous materials is the cause of elastic deformation of an adsorbent, which is accessible to direct experimental measurements. Such a deformation contributes to the Helmholtz free energy of the whole adsorbent-adsorbate system due to accumulation of compression or tension energy by the solid. It means that in the general case the solid has to be considered as not solely a source of the external potential field for the fluid confined in the pore volume, but also as thermodynamically noninert component of the solid-fluid system. We present analysis of nitrogen adsorption isotherms and heat of adsorption in slit graphitic pores accounting for the adsorption deformation by means of nonlocal density functional theory. |
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Keywords: | Activated carbon Adsorption Modeling Molecular simulation Heat of adsorption |
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