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Adsorption Mechanism of Carbon Dioxide in Faujasites: Grand Canonical Monte Carlo Simulations and Microcalorimetry Measurements
Abstract
Molecular simulations have been coupled with adsorption microcalorimetry measurements in order to understand more deeply the interactions between carbon dioxide and various types of faujasite surfaces. The modeling studies, based on newly derived interatomic potentials for describing the interactions within the whole system, provide isotherms and evolutions of the differential enthalpy of adsorption as a function of coverage for DAY, NaY, and NaLSX which are in very good accordance with those obtained experimentally. The microscopic mechanism of CO2 adsorption was carefully analyzed, with different behaviors proposed, depending on the energetic characteristics of each faujasite surface, which are consistent with the trends observed for the differential enthalpies of adsorption.
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Citations
Cited by
Carbon Dioxide Capture: Prospects for New Materials
D'Alessandro, D. M., Smit, B., & Long, J. R. (2010) · Angewandte Chemie International Edition · doi:10.1002/anie.201000431 · Cited by 4,046
Post-Combustion CO 2 Capture Using Solid Sorbents: A Review
Samanta, A., Zhao, A., Shimizu, G. K. H., Sarkar, P., & Gupta, R. (2012) · Industrial & Engineering Chemistry Research · doi:10.1021/ie200686q · Cited by 1,889
Porous Inorganic Membranes for CO2 Capture: Present and Prospects
Pera-Titus, M. (2014) · Chemical Reviews · doi:10.1021/cr400237k · Cited by 614
Understanding the Effect of Water on CO2 Adsorption
Kolle, J. M., Fayaz, M., & Sayari, A. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c00762 · Cited by 523
CO2 adsorption and catalytic application of Co-MOF-74 synthesized by microwave heating
Cho, H.-Y., Yang, D.-A., Kim, J., Jeong, S.-Y., & Ahn, W.-S. (2012) · Catalysis Today · doi:10.1016/j.cattod.2011.08.019 · Cited by 381
Metadata
- Authors
- Maurin, G., Llewellyn, P. L., & Bell, R. G.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-07-30
- Volume
- 109
- Issue
- 33
- Pages
- 16084-16091
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2083997142
- Cited by
- 210
- References
- 0
- FWCI
- 6.72
- Type
- journal article
- Language
- en
- Open access
- closed
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- Maurin, G., Llewellyn, P. L., & Bell, R. G. (2005). Adsorption Mechanism of Carbon Dioxide in Faujasites: Grand Canonical Monte Carlo Simulations and Microcalorimetry Measurements. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp052716s
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