Diffusion in Confinement:  Agreement between Experiments Better than Expected

Beerdsen, E.; Smit, Berend

doi:10.1021/jp062867a

Cited by 20 publications

(22 citation statements)

References 16 publications

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“…That subsequently experimental data have been analyzed assuming this assumption to hold may have contributed to the large scatter in the experimental diffusion coefficients. 3,321 Clearly, these experiments may need to be reanalyzed. In this respect, it is important to mention that a permeation experiment on zeolitemembranesresultedinloadingdependent(Maxwell-Stefan) diffusion coefficients that are in excellent agreement with molecular dynamics simulations.…”

Section: Loading Dependencementioning

confidence: 99%

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

2008

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Section: Loading Dependencementioning

confidence: 99%

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

2008

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“…1B). Although the diffusion of C12 has been investigated in zeolites, this phenomenon had not been reported yet (16,(22)(23)(24)(25)(26). The connection between the structure and anomalous diffusion has been established based on molecular dynamics (MD) simulations and zero length column (ZLC) experiments, which provide fundamental insights into the diffusion properties inside confined channels.…”

mentioning

confidence: 99%

Thermal resistance effect on anomalous diffusion of molecules under confinement

Yuan

Liu

et al. 2021

Proc. Natl. Acad. Sci. U.S.A.

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Diffusion is generally faster at higher temperatures. Here, a counterintuitive behavior is observed in that the movement of long-chain molecules slows as the temperature increases under confinement. This report confirms that this anomalous diffusion is caused by the “thermal resistance effect,” in which the diffusion resistance of linear-chain molecules is equivalent to that with branched-chain configurations at high temperature. It then restrains the molecular transportation in the nanoscale channels, as further confirmed by zero length column experiments. This work enriches our understanding of the anomalous diffusion family and provides fundamental insights into the mechanism inside confined systems.

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“…In another study, the ostensibly different diffusion behaviour of alkanes adsorbed in zeolites that may be deduced depending on the particular technique employed to measure it, was explained. The results show that when various data-sets reported in the literature are corrected for the loading of the alkane used in the particular kind of measurement, a much closer agreement is obtained between them 37 . Using the zero length column (ZLC) method, the diffusion of linear alkanes (n-hexane to n-tetradecane) in zeolite NaCaA was measured.…”

Section: Properties and Applications Of Zeolites 237mentioning

confidence: 63%

“…The activation energies for the diffusion of linear alkanes in NaCaA all lie in the range 20 -26 kJ mol À 1 . 37 QENS data have been measured for the self-diffusion of n-alkanes (up to hexadecane) in silicalite. At 300 K, the measured diffusivities are greater in silicalite than in Na-ZSM-5, in agreement with molecular dynamics calculations and with hierarchical transitionstate theoryyBrownian dynamics calculations.…”

Section: Properties and Applications Of Zeolites 237mentioning

confidence: 99%

Properties and applications of Zeolites

Rhodes

2010

Science Progress

143

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Zeolites are aluminosilicate solids bearing a negatively charged honeycomb framework of micropores into which molecules may be adsorbed for environmental decontamination, and to catalyse chemical reactions. They are central to green-chemistry since the necessity for organic solvents is minimised. Proton-exchanged (H) zeolites are extensively employed in the petrochemical industry for cracking crude oil fractions into fuels and chemical feedstocks for other industrial processes. Due to their ability to perform cation-exchange, in which the cations that are originally present to counterbalance the framework negative charge may be exchanged out of the zeolite by cations present in aqueous solution, zeolites are useful as industrial water-softeners, in the removal of radioactive Cs+ and Sr2+ cations from liquid nuclear waste and in the removal of toxic heavy metal cations from groundwaters and run-off waters. Surfactant-modified zeolites (SMZ) find particular application in the co-removal of both toxic anions and organic pollutants. Toxic anions such as arsenite, arsenate, chromate, cyanide and radioactive iodide can also be removed by adsorption into zeolites that have been previously loaded with co-precipitating metal cations such as Ag+ and Pb2+ which form practically insoluble complexes that are contained within the zeolite matrix.

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Diffusion in Confinement: Agreement between Experiments Better than Expected

Cited by 20 publications

References 16 publications

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

Thermal resistance effect on anomalous diffusion of molecules under confinement

Properties and applications of Zeolites

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