The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Insights into CO2/N2 separation through nanoporous graphene from molecular dynamics
Abstract
We show from molecular dynamics simulations that porous graphene of a certain pore size can efficiently separate carbon dioxide from nitrogen with high permeance, in agreement with the recent experimental finding (Koenig et al., Nat. Nanotechnol., 2012, 7, 728-732). The high selectivity is reflected in the much higher number of CO2 passing-through events than that of N2 from the trajectories. The simulated CO2 permeance is on the order of magnitude of 10(5) GPU (gas permeation unit). The selective trend is further corroborated by the free energy barriers of permeation. The predicted CO2/N2 selectivity is around 300. Overall, the combination of high CO2 flux and high CO2/N2 selectivity makes nanoporous graphene a promising membrane for post-combustion CO2 separation.
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Cites
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Plimpton, S. (1995) · Journal of Computational Physics · doi:10.1006/jcph.1995.1039 · Cited by 44,721
Cited by
Graphene-based materials: Synthesis and gas sorption, storage and separation
Gadipelli, S., & Guo, Z. X. (2015) · Progress in Materials Science · doi:10.1016/j.pmatsci.2014.10.004 · Cited by 734
Recent progress of fillers in mixed matrix membranes for CO 2 separation: A review
Vinoba, M., Bhagiyalakshmi, M., Alqaheem, Y., Alomair, A. A., Pérez, A., & Rana, M. S. (2017) · Separation and Purification Technology · doi:10.1016/j.seppur.2017.07.051 · Cited by 438
Quantum Mechanical Basis for Kinetic Diameters of Small Gaseous Molecules
Mehio, N., Dai, S., & Jiang, D.-E. (2014) · The Journal of Physical Chemistry A · doi:10.1021/jp412588f · Cited by 351
Self-citationMechanisms of Molecular Permeation through Nanoporous Graphene Membranes
Sun, C., Boutilier, M. S. H., Au, H., Poesio, P., Bai, B., Karnik, R., & Hadjiconstantinou, N. G. (2014) · Langmuir · doi:10.1021/la403969g · Cited by 287
Wang, Y., Yang, Q., Li, J., Yang, J., & Zhong, C. (2016) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp06569k · Cited by 62
Metadata
- Authors
- Liu, H., Dai, S., & Jiang, D.-E.
- Venue
- Nanoscale
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2013
- Volume
- 5
- Issue
- 20
- Pages
- 9984
- ISSN
- 2040-3364 (ISSN-L)
- 2040-3372
- OpenAlex
- W2026873621
- Cited by
- 171
- References
- 1
- FWCI
- 15.50
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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