Utilizing molecular simulation, ideal adsorbed solution theory and ensemble learning algorithms to investigate adsorption and separation of sulfides on amorphous nanoporous materials
Using grand canonical Monte Carlo method, we investigated the adsorption of pure H2S and SO2 gases on amorphous materials, and the separation of CH4-H2S and CO2-SO2 mixtures. At 303 K, the optimal adsorbent for both gases was found to be HCP-Colina-id016, with 16 mmol/g. For CH4-H2S mixture, despite...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-04-01
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| Series: | Next Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949822824002752 |