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We present Mont Carlo computer simulation results for a molecular model of fluids adsorbed in porous carbon materials. The model carbon used is based on the platelet model for carbon of Segarra and Glandt (1994). The model we use has a single basal plane per platelet and the structure is isotropic, disordered, with weak short-range correlations between the platelets. We have performed grand canonical...
Menisci interactions can strongly affect the development of adsorption processes in mesoporous materials. Phenomena such as delayed and advanced adsorption represent outright manifestations of these interactions then leading to deceptive determinations of the pore-size distribution. At present, a characterization study involving simulated porous networks with qualities similar to those owned by real...
Adsorption processes are turning more and more important for heat transformation applications like thermally driven heat pumps and cooling cycles as well as heat storage. Standard adsorption materials have not been developed for these purposes. New materials are necessary in order to improve the adsorption characteristics for these applications. Molecular simulations are seen as a promising tool to...
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