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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Bibliographic Details
Main Authors: Nikom Klomkliang, Numphueng Khongtor, Poomiwat Phadungbut, Somboon Chaemchuen, David Nicholson
Other Authors: The University of Queensland
Format: Article
Published: 2022
Subjects:
Online Access:https://repository.li.mahidol.ac.th/handle/123456789/76508
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Institution: Mahidol University