Adsorption of CO2, N2, CH4, and their mixtures on silicalite: A critical evaluation of force fields
The use of molecular simulation has been growing in the field of engineering, fueled not just by the advances in computational power but also on the availability of reliable software. One potential use of molecular simulation is related to the screening of materials for a specific application. The r...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Association of the Chemical Engineers of Serbia
2020-01-01
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| Series: | Chemical Industry and Chemical Engineering Quarterly |
| Subjects: | |
| Online Access: | http://www.doiserbia.nb.rs/img/doi/1451-9372/2020/1451-93722000011A.pdf |