Two-Surface Virial Analysis of Alkane Adsorption on Carbopack C with and without Hydrogen Treatment

Bruce, Carolyn; Rybolt, Thomas R.; Thomas, Howard E.; Agnew, Tara E.; Davis, Brandon S.

doi:10.1006/jcis.1997.5127

Cited by 10 publications

(15 citation statements)

References 21 publications

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“…͑8͒-͑10͒, linear relations can also be derived for ⌬H 0 , ⌬U 0 , and ⌬A 0 . Such linear relations were previously found in the q st 0 for the adsorption of linear alkanes on Carbopack C and C-HT, 8 in the q st 0 and K H for the adsorption of linear alkanes on silicalite, 22,26,29,31,39,40 and in the q st 0 for the adsorption of linear and branched alkanes on silicalite. 9,41 From these relations, we can estimate the limiting adsorption properties of longer linear alkanes.…”

Section: Simulation Methodssupporting

confidence: 79%

“…Maciver et al 7 measured the adsorption of lower molecular weight alkanes ͑C 3 , nC 4 and iC 4 ͒ on silica, alumina, and silica-alumina cracking catalysts over the temperature range from 25°to 350°C, and observed physisorption accompanied by chemisorption. Bruce et al 8 determined the gas-solid second virial coefficients for the normal C 3 ,C 4 ,C 5 , and C 6 alkanes on Carbopack C and C-HT in the temperature range of 323 to 471 K, and found that the gassolid adsorption energy has a linear correlation with the boiling point and with the ratio of critical temperature to the square root of the critical pressure. Denayer et al 9 determined the Henry constants, limiting adsorption enthalpies, van't Hoff pre-exponential factors, and separation factors of C 5 -C 8 alkanes on a variety of zeolites at 473-648 K, and found both nonselective and selective adsorption between linear and branched alkanes dependent on the zeolite type.…”

Section: Introductionmentioning

confidence: 99%

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Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation

et al. 2005

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The adsorption and separation of linear ͑C 1 -nC 5 ͒ and branched ͑C 5 isomers͒ alkanes on single-walled carbon nanotube bundles at 300 K have been studied using configurational-bias Monte Carlo simulation. For pure linear alkanes, the limiting adsorption properties at zero coverage exhibit a linear relation with the alkane carbon number; the long alkane is more adsorbed at low pressures, but the reverse is found for the short alkane at high pressures. For pure branched alkanes, the linear isomer adsorbs to a greater extent than its branched counterpart. For a five-component mixture of C 1 -nC 5 linear alkanes, the long alkane adsorption first increases and then decreases with increasing pressure, but the short alkane adsorption continues increasing and progressively replaces the long alkane at high pressures due to the size entropy effect. All the linear alkanes adsorb into the internal annular sites with preferred alignment parallel to the nanotube axis on a bundle with a gap of 3.2 Å, and also intercalate the interstitial channels in a bundle with a gap of 4.2 Å. For a three-component mixture of C 5 isomers, the adsorption of each isomer increases with increasing pressure until saturation, though nC 5 increases more rapidly with pressure and is preferentially adsorbed due to the configurational entropy effect. All the C 5 isomers adsorb into the internal annular sites on a bundle with a gap of 3.2 Å, but only nC 5 also intercalates the interstitial channels on a bundle with a gap of 4.2 Å. This work suggests the possibility of separating alkane mixtures based on differences in either size or configuration, as a consequence of competitive adsorption on the carbon nanotube bundles.

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Section: Simulation Methodssupporting

confidence: 79%

Section: Introductionmentioning

confidence: 99%

Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation

et al. 2005

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“…Finally, it was found that use of MR and χ together is more effective than use of either alone, and when all the 10 groups were combined, the RI calculated versus the RI experimental for 373 molecules gave r 2 = 0.982 as shown in Eq. [27]. Our results compared favorably to the 16-parameter multiple linear regression result where r 2 = 0.974 or the neural network approach where r 2 = 0.982.…”

Section: Discussionmentioning

confidence: 60%

“…The experimental procedure has been used in previous work (24)(25)(26)(27) and is described in detail elsewhere (28). The specific column used in the present study was the Carbopack C column used in a previous study of the adsorption of selected hydrocarbons and halocarbons (23).…”

Section: Methodsmentioning

confidence: 99%

Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices

Rybolt

Hooper

Stensby

et al. 2001

Journal of Colloid and Interface Science

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“…Jakobtorweihen et al [24] confirmed these findings by simulations of a broad variety of alkanes and alkenes in silicalite-1. Bruce et al [43] found this result also for graphitized black powders. In figure 9 the relation given in equation 3 is confirmed for linear alkanes and some alkenes 11 in SWCNTs of various diameters.…”

Section: Resultsmentioning

confidence: 71%

Adsorption of alkanes, alkenes and their mixtures in single-walled carbon nanotubes and bundles

Jakobtorweihen

Keil

2009

Molecular Simulation

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Two-Surface Virial Analysis of Alkane Adsorption on Carbopack C with and without Hydrogen Treatment

Cited by 10 publications

References 21 publications

Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation

Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation

Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices

Adsorption of alkanes, alkenes and their mixtures in single-walled carbon nanotubes and bundles

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