The DOI matches its Crossref record; 68 of the 68 references it cites were found in a registry or an index.
Modeling of Diffusion in Zeolites
Abstract
Diffusion of adsorbed molecules in zeolites plays an important role in the use of zeolites as adsorbents in separation processes and in shape-selective catalysis. Computational chemistry is in a stage where diffusion phenomena, even for multicomponent diffusion, can be treated at a level of high accuracy. The present review presents most of the results on diffusion in zeolites obtained by classical Molecular Dynamics, dynamic Monte-Carlo approaches, Transition-State Theory, and the Maxwell-Stefan approach. Reactive and non-reactive conditions are considered.
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Cites
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Cited by
CO2 Capture and Separations Using MOFs: Computational and Experimental Studies
Yu, J., Xie, L.-H., Li, J.-R., Ma, Y., Seminario, J. M., & Balbuena, P. B. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00626 · Cited by 1,047
Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity
Smit, B., & Maesen, T. L. M. (2008) · Chemical Reviews · doi:10.1021/cr8002642 · Cited by 829
Salciccioli, M., Stamatakis, M., Caratzoulas, S., & Vlachos, D. G. (2011) · Chemical Engineering Science · doi:10.1016/j.ces.2011.05.050 · Cited by 366
Huber, P. (2015) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/27/10/103102 · Cited by 322
Keskin, S., Liu, J., Rankin, R. B., Johnson, J. K., & Sholl, D. S. (2009) · Industrial & Engineering Chemistry Research · doi:10.1021/ie800666s · Cited by 310
Metadata
- Authors
- Keil, F. J., Krishna, R., & Coppens, M.-O.
- Venue
- Reviews in Chemical Engineering
- Publisher
- Walter de Gruyter GmbH
- Published
- 2000-01
- Volume
- 16
- Issue
- 2
- ISSN
- 0167-8299 (ISSN-L)
- 2191-0235
- OpenAlex
- W2048659887
- Cited by
- 311
- References
- 68
- FWCI
- 11.54
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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