Abstract
Adsorption of pyridine base molecules (pyridine and α-, β- and γ-picolines) on a surface of a natural zeolite, heulandite (0 1 0), was examined by Monte Carlo simulations. Two types of adsorption areas were identified on heulandite (0 1 0) bound by surface OH arrays, and each area showed different influence on the adsorption and orientation for pyridine base molecules. The presence of methyl group and its position within the adsorbed molecule also influenced its adsorption characteristics. For pyridine adsorption, molecular dynamics simulation was also performed. The results were compared with existing experimental data obtained through atomic force microscopy.
Original language | English |
---|---|
Pages (from-to) | 377-380 |
Number of pages | 4 |
Journal | Applied Surface Science |
Volume | 188 |
Issue number | 3-4 |
DOIs | |
Publication status | Published - 2002 Mar 28 |
Keywords
- Adsorption simulation
- Heulandite (0 1 0) surface
- Molecular dynamics
- Monte Carlo
- Picoline
- Pyridine
- Zeolite
ASJC Scopus subject areas
- Chemistry(all)
- Condensed Matter Physics
- Physics and Astronomy(all)
- Surfaces and Interfaces
- Surfaces, Coatings and Films