Pore Size Characterization of Carbons Using the Randomly Etched Graphite Model

Tuesday, November 9, 2010
Hall 1 (Salt Palace Convention Center)
S. Mardonio P. Lucena1, Pedro F.G. Silvino2, Carlos A. Paiva2, Diana C. S. Azevedo3 and Celio L. Cavalcante Jr.2, (1)Dept. Eng. Quimica, Universidade Federal do Ceará, Fortaleza, CE, Brazil, (2)Chemical Engineering, Universidade Federal do Ceará, Fortaleza, CE, Brazil, (3)Chemical Engineering, Universidade Federal do Ceará, Fortaleza, Brazil

In this study, the randomly etched graphite model is used for the characterization of commercial activated carbons. In this model, geometric heterogeneity is introduced using kernels of N2 isotherms mixing etched pores isotherms with perfect ones. The isotherms were calculated using biased grand canonical Monte Carlo and Lennard -Jones potentials in graphene sheets with explicit carbon atoms and solid-fluid parameters carefully adjusted. This approach can be used to establish a parameter (etched pore volume) that can characterize heterogeneity. This parameter was shown to be related to the presence of more heterogeneity in the commercial activated carbon samples.

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