A fully consistent experimental and molecular simulation study of methane adsorption on activated carbon
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A fully consistent experimental and molecular simulation study of methane adsorption on activated carbon Fadi Khaddour • Auriane Knorst-Fouran Fre´de´ric Plantier • Manuel M. Pin˜eiro • Bruno Mendiboure • Christelle Miqueu
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Received: 3 October 2013 / Revised: 7 March 2014 / Accepted: 1 April 2014 / Published online: 13 April 2014 Ó Springer Science+Business Media New York 2014
Abstract The adsorption of pure methane in activated carbon Ecosorb was studied by combining grand canonical ensemble Monte Carlo molecular simulations and an experimental approach based on a gravimetric device. Experimental and calculated adsorption isotherms of methane were determined in supercritical conditions at 303.15 and 353.15 K and pressures up to 10 MPa. The comparison between both experimental and estimated data proves the consistency of the methodology used in this work, starting from the characterization of the porous media in terms of pore size distribution, the determination of the experimental adsorption isotherms, and the final estimation of computational results through estimated isotherms determination. Moreover, additional differential enthalpy of adsorption calculations were compared with experimental values obtained by means of a manometric/ calorimetric technique. The good agreement shows the strength and the originality of this paper by combining experimental and computational homemade results allowing a complete characterization of the activated carbon substrate and its methane storage capacity. Keywords Methane adsorption Activated carbon Gravimetric method Molecular simulation
F. Khaddour A. Knorst-Fouran F. Plantier B. Mendiboure C. Miqueu (&) Laboratoire des Fluides Complexes et leurs Re´servoirs (LFC-R), UMR 5150, CNRS, TOTAL, Univ Pau & Pays Adour, BP 1155, 64013 Pau, France e-mail: [email protected] M. M. Pin˜eiro Departamento de Fı´sica Aplicada, Facultade de Ciencias, Universidade de Vigo, 36310 Vigo, Spain
1 Introduction Physical adsorption of supercritical gases on porous solids and more precisely on microporous materials represents an area of investigation of great interest for many research groups. Indeed the experimental or theoretical knowledge of adsorption properties (adsorption isotherms or differential heat of adsorption, for instance) is very useful in many applications such as storage of natural gas (Matranga et al. 1992) and hydrogen (Yang et al. 2013), enhanced coalbed methane recovery (Zhou et al. 2013) and carbon dioxide sequestration (Santilla´n-Reyes and Pfeiffer 2011). The adsorbate–adsorbent interactions responsible of the adsorption mechanism are the key of this phenomenon, and additionally the nature of the porous material (shape and conditioning, pore size distribution (PSD) and specific area) has a crucial importance. Activated carbons can be outlined as excellent adsorbent candidates for the above mentioned applications, because of their high adsorption capacity and low cost. Many studies, especially in the 1990s, have been conducted so far to characteriz
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