Effect of adsorbate properties on adsorption mechanisms: computational study
| Autor: | Jan T. Duda, Janina Milewska-Duda, Magda Ziółkowska |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Surface (mathematics)
Chemistry(all) Basis (linear algebra) Chemistry Thermodynamic equilibrium General Chemical Engineering Langmuir adsorption model 02 engineering and technology Surfaces and Interfaces General Chemistry Kinematics 010501 environmental sciences 021001 nanoscience & nanotechnology 01 natural sciences symbols.namesake Adsorption Chemical physics Computational chemistry Chemical Engineering(all) symbols Molecule 0210 nano-technology Porosity 0105 earth and related environmental sciences |
| Zdroj: | Adsorption. 22:589-597 |
| ISSN: | 1572-8757 0929-5607 |
| DOI: | 10.1007/s10450-015-9736-y |
| Popis: | The paper presents results of research on identification of localized and mobile adsorption mechanisms of several selected adsorbates, on geometrically heterogeneous graphite-like carbonaceous surface. The proposed approach is intended to examine effects of surface geometrical heterogeneity on shape and volume of space occupied by the selected adsorbate molecules. In particular, the continuously moving individual molecule mass center properties, near adsorbent surface are investigated. When compared to the corresponding liquid phase properties it enables to outline the conditions for localized and mobile adsorption mechanisms. To this aim, the kinematic and thermodynamic equilibrium conditions are taken under the study, providing information on particular mechanism predomination. Therefore, the approach gives a cognitive basis for selection of the most appropriate mathematical adsorption model to reliable examination of material porous structure (comprising similar geometrical heterogeneity). Numerous simulation results for selected adsorbates H2, CO2, CH3OH and C6H6 are presented, and adsorption mechanism identification is discussed. |
| Databáze: | OpenAIRE |
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