Atomic Heat Contributions for Carbon Dioxide Adsorption in IRMOF-1
A grand canonical Monte Carlo simulation has been carried out to investigate CO2 adsorption in the isoreticular metal-organic framework-1 [IRMOF-1, Zn4O(1,4-benzenedicarboxylate)3] in the temperature range 170-310 K. We report adsorption isotherms, total isosteric heats, and the separate heat contri...
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Main Authors: | , , , , |
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Format: | Article |
Published: |
2022
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Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/76508 |
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Institution: | Mahidol University |