Can Molecular Simulations Be Used To Predict Adsorption on Activated Carbons?
| Autor: | James A. O'Brien, Vladimir Yu. Gusev and |
|---|---|
| Rok vydání: | 1997 |
| Předmět: |
Alkane
chemistry.chemical_classification Pore size chemistry.chemical_element Surfaces and Interfaces Condensed Matter Physics Methane Spherical model chemistry.chemical_compound Adsorption Hydrocarbon chemistry Chemical engineering Electrochemistry medicine Physical chemistry General Materials Science Carbon Spectroscopy Activated carbon medicine.drug |
| Zdroj: | Langmuir. 13:2822-2824 |
| ISSN: | 1520-5827 0743-7463 |
| DOI: | 10.1021/la960456n |
| Popis: | We demonstrate that the adsorption of ethane on an industrial activated carbon may be predicted quantitatively using molecular simulations of a two-center model of ethane and a pore size distribution for the micropores of the active carbon. The pore size distribution was determined from the adsorption of methane on the same carbon at a single temperature. No adjustable solid−fluid parameters were used. A less realistic spherical model of ethane was not adequate to predict ethane adsorption. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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