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Geometry Optimization as Molecular Modeling on Activating Carbon with Polypirrole
Published online by Cambridge University Press: 05 July 2016
Abstract
Activation of carbon using polypyrrole as activating agent is searched through Molecular Modeling. The Geometry Optimizations carried out helped to observe carbon effect when is attacked by a polymer in order to give an estimation of the pore size diameter of carbon. In this first approximation pore size diameters is about 30 % with respect to BET (Brunauer, P. Emmett y E. Teller) isotherms experimental data.
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- Information
- MRS Online Proceedings Library (OPL) , Volume 1819: Symposium 4D – New Trends in Polymer Chemistry and Characterization , 2016 , imrc2015s4d-p016
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- Copyright © Materials Research Society 2016