Effect of adsorption deformation on thermodynamic characteristics of a fluid in slit pores at sub-critical conditions
Contribuinte(s) |
Peter A. Thrower (Editor-in-Chief) |
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Data(s) |
01/01/2006
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Resumo |
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 nonmert 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. (c) 2006 Elsevier Ltd. All rights reserved. |
Identificador | |
Idioma(s) |
eng |
Publicador |
Pergamon-Elsevier Science Ltd |
Palavras-Chave | #Chemistry, Physical #Materials Science, Multidisciplinary #Activated Carbon #Adsorption #Modeling #Molecular Simulation #Heat Of Adsorption #Density-functional Theory #Computer-simulation #Dimensional Changes #Elevated Pressures #Carbon-dioxide #Charcoal #Water #Adsorbent #Expansion #Equation #C1 #290699 Chemical Engineering not elsewhere classified #670601 Chemical fertilisers #290000 Engineering and Technology #290600 Chemical Engineering #290602 Process Control and Simulation |
Tipo |
Journal Article |