Adsorption and diffusion of linear and dibranched C6 paraffins in a ZSM-5 zeolite

Lemaire, Elina; Decrette, A.; Bellat, Jean‐Pierre; Simon, Jean-Marc; Méthivier, Alain; Jolimaître, Elsa

doi:10.1016/s0167-2991(02)80326-3

Cited by 8 publications

(14 citation statements)

References 16 publications

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“…The pure component saturation capacities are in the order 2MP > 3MP > 23DMB, which is also in agreement with the data of Cavalcante and Ruthven 14. The saturation capacities values obtained in the literature by extrapolation from low loading data are always smaller than our results: for temperatures between 150 and 200°C, Cavalcante and Ruthven,14 Jolimaitre et al,15 and Lemaire et al16 all obtain q sat values between 3 and 3.7 molecules per cell for 2MP and 3MP and between 1.4 and 3.4 molecules per cell for 23DMB. However, molecular simulations17 at 190°C and 35 bar yield a 3MP adsorption capacity of 4.7 molecules per cell, much closer to our experimental value of 4.8 (Table 4).…”

Section: Resultssupporting

confidence: 93%

“…This well known but not entirely resolved problem of comparison of diffusion coefficients obtained by different methods has been extensively discussed by Kärger and Ruthven 21. Still, the 3MP and 2MP diffusivity values given here are close to that obtained by Jolimaitre et al15 and Lemaire et al16 for the same silicalite sample (even though the experimental conditions and the models hypothesis are quite different).…”

Section: Resultssupporting

confidence: 90%

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Liquid phase diffusion of branched alkanes in silicalite

et al. 2011

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International audienceThis work provides a new mass transfer model based on the Maxwell-Stefan theory, especially adapted to represent adsorbed phase multicomponent diffusion at high-adsorbent loading. In our model - contrarily to the well-known model developed by Krishna et al. (Chem Eng Sci. 1990;45:7:1779-1791; Gas Sep Purif. 1993;7:91-104; J Phys Chem B. 2005;109:6386-6396) - the hypothesis that the micropores are saturated does not imply a dependency between the adsorbed phase diffusion coefficients. Experimental liquid phase breakthrough curves of 2-methylpentane (2MP), 3-methylpentane (3MP), 2,3-dimethylbutane (23DMB), and 2,2-dimethylbutane (22DMB) were measured at 458 K in silicalite. The self-diffusion coefficients and Langmuir parameters of the different species were determined using binary exchange breakthrough curves. The Maxwell-Stefan diffusion coefficients obtained for the different isomers are in the order D3MP,nc+1 > D2MP,nc+1 D23DMB,nc+1, and vary between 4 × 10-15 m2 s-1 for 3MP to 6 × 10-16 m2 s-1 for 23DMB. The 22DMB diffusion coefficient is so low that it could not be estimated (the quantity of 22DMB entering silicalite during the experiment is not significant). The model was then validated by comparing experimental breakthrough curves at different feed concentrations and simulations using the independently estimated parameters. Even though the diffusion coefficients of the different isomers vary by one order of magnitude, the agreement between simulated and experimental curves is very satisfactory, showing the good predictive power of our model

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Section: Resultssupporting

confidence: 93%

Section: Resultssupporting

confidence: 90%

Liquid phase diffusion of branched alkanes in silicalite

et al. 2011

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“…2MP does not occupy the total free microporous volume contrary to hexane, which completely fills the micropores in the same conditions (Lemaire et al, 2002). when a plateau of mass is observed, the desorption branch is drawn by increasing step by step the temperature up to 673 K. Additional adsorption-desorption cycles are then performed by changing the temperature.…”

Section: Adsorption-desorption Isobars Of Single Componentsmentioning

confidence: 99%

“…Nevertheless, with 22DMB we observe that the adsorption capacity above 4 kPa becomes higher at 413 K than at 348 K. This result is obviously inconsistent from a thermodynamic point of view and could be considered as an effect of the framework flexibility. The single site Langmuir model cannot reproduce this substep and a better fit could be obtained by using a double site Langmuir model (Lemaire et al, 2002). Langmuir parameters and enthalpies and entropies of adsorption deduced from the dimensionless constant K (T ) · K L is the Langmuir constant expressed in kPa −1 and p • = 101.325 kPa.…”

Section: Adsorption Isotherms Of Single Componentsmentioning

confidence: 99%

Adsorption and Coadsorption of 2-methylpentane and 2,2-dimethylbutane in a ZSM-5 Zeolite

et al. 2005

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In this paper we present the major results of a thermodynamic and structural study of the adsorption of 2-methylpentane (2MP) and 2,2-dimethylbutane (22DMB) on a ZSM-5 zeolite under isothermal and isobaric conditions. A thermodynamically inconsistent behavior is observed with 22DMB at constant pressure: the adsorbed amount increases as the temperature of the zeolite increases from 343 to 443 K. We suspect that this particular phenomenon is the result to the monoclinic/orthorhombic phase transition undergone by the zeolite. This flexibility of the zeolite framework seems to have a significant effect on the separation of both isomers by selective adsorption. Coadsorption experiments show that the ZSM-5 zeolite has a poor selectivity for 2MP with respect to 22DMB when the structure is orthorhombic whereas it is very selective in the monoclinic structure. However the selectivity decreases sharply as the filling increases. The presence of 22DMB molecules located at the intersections of the channels probably obstructs the adsorption of 2MP.

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“…Adsorption isobar experiments were further performed to characterize the sorption equilibrium phenomenon as a function of temperature. , Figure shows that n -PrOH uptake increases with temperature. In zeolites and activated carbon materials it is characteristic to observe a decrease on gas and/or vapor uptake upon increasing temperature.…”

Section: Resultsmentioning

confidence: 99%

Adsorption of 1-Propanol in the Channel-Like InOF-1 Metal–Organic Framework and Its Influence on the CO₂ Capture Performances

et al. 2018

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The n-PrOH adsorption properties of the onedimensional-channel-like metal−organic framework InOF-1 were first explored and evidenced a high affinity for this host− guest system owing to the shape of the adsorption isotherms at a low relative pressure, the presence of a hysteresis loop during the desorption process, and a relatively high isosteric heat of adsorption. Monte Carlo simulations revealed that this thermodynamic behavior is related to a preferential interaction between n-PrOH and the μ 2 -OH groups of the InOF-1 surface at low loading, whereas n-PrOH self-aggregates at higher guest concentration to first form dimers and then clusters. In complement to this thermodynamic exploration, the kinetics of n-PrOH were further characterized and the mobility of the guests was shown to be slow most probably due to the formation of these guest clusters. Finally, we revealed that in contrast to other solvents we have reported in the past, the n-PrOH confinement does not enhance the CO 2 capture in InOF-1. This observation was supported by grand canonical Monte Carlo simulations. Finally, we observed that the filling of the micropores of InOF-1 by CO 2 inhibits the adsorption of n-PrOH, demonstrating the absence of oversolubility of n-PrOH in the presence of CO 2 .

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Adsorption and diffusion of linear and dibranched C6 paraffins in a ZSM-5 zeolite

Cited by 8 publications

References 16 publications

Liquid phase diffusion of branched alkanes in silicalite

Liquid phase diffusion of branched alkanes in silicalite

Adsorption and Coadsorption of 2-methylpentane and 2,2-dimethylbutane in a ZSM-5 Zeolite

Adsorption of 1-Propanol in the Channel-Like InOF-1 Metal–Organic Framework and Its Influence on the CO₂ Capture Performances

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Adsorption and diffusion of linear and dibranched C6 paraffins in a ZSM-5 zeolite

Cited by 8 publications

References 16 publications

Liquid phase diffusion of branched alkanes in silicalite

Liquid phase diffusion of branched alkanes in silicalite

Adsorption and Coadsorption of 2-methylpentane and 2,2-dimethylbutane in a ZSM-5 Zeolite

Adsorption of 1-Propanol in the Channel-Like InOF-1 Metal–Organic Framework and Its Influence on the CO2 Capture Performances

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Adsorption of 1-Propanol in the Channel-Like InOF-1 Metal–Organic Framework and Its Influence on the CO₂ Capture Performances