Adsorption of 2,4,6-trichlorophenol on kaolinite: DFT calculations
The aim of this work is to explore the adsorption process of an organic pollutant the 2,4,6-trichlorophenol on the clay mineral (kaolinite) surface in order to identify the sites of adsorption as well as conformations corresponding to the lowest energies. Ab-initio calculations have been used to inv...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Syiah Kuala University
2017-12-01
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| Series: | Aceh International Journal of Science and Technology |
| Subjects: | |
| Online Access: | http://jurnal.unsyiah.ac.id/AIJST/article/view/6987 |