Effect of the internal motions of an adsorbate on the characteristics of adsorption for structurally heterogenous surfaces of slit-like pores
| Autor: | A. B. Rabinovich, E. S. Zaitseva, Yu. K. Tovbin |
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| Rok vydání: | 2015 |
| Předmět: |
Molecular model
Chemistry Langmuir adsorption model 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences symbols.namesake Adsorption Chemisorption Chemical physics Lattice (order) symbols Molecule Physical chemistry Physics::Chemical Physics Physical and Theoretical Chemistry Layering 0210 nano-technology Phase diagram |
| Zdroj: | Russian Journal of Physical Chemistry A. 90:205-213 |
| ISSN: | 1531-863X 0036-0244 |
| Popis: | The effect of internal motions of an adsorbate on the local characteristics of adsorption and layering phase diagrams are studied for structurally heterogeneous surfaces of slit-like pores. A molecular model describing adsorbate distributions inside slit-like pores, which is based on discrete distribution functions (lattice gas model), is used for the calculation. Molecular distributions are calculated by the Lennard-Jones potential (12–6) in a quasi-chemical approximation reflecting the effects of direct correlations of interacting particles and for the combined interaction of an adsorbate with walls in the average potential approximation (9–3) and the short-range Lennard-Jones potential for structurally heterogeneous surface areas. The conclusion is made that internal motions reflect the vibrational motion of molecules within a modified quasi-dimer model and a displacement of the adsorbate during its translational motion inside cells. It was found that the taking into account of internal motions decreases the critical temperature of adsorbate layering in slit-like pores. |
| Databáze: | OpenAIRE |
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