Single- and Multicomponent Vapor-Phase Adsorption of Xylene Isomers and Ethylbenzene in a Microporous Metal−Organic Framework

Nicolau, Marco Paulo Marques; Bárcia, Patrick da Silva; Gallegos, Jose M.; Silva, José A.C.; Rodrigues, Alı́rio E.; Chen, Banglin

doi:10.1021/jp9006747

Cited by 96 publications

(60 citation statements)

References 47 publications

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“…(6). Together with the operating conditions, the numerical values of the amount adsorbed for each equimolar quaternary breakthrough can also be found in the literature [37]. Fig.…”

Section: Multicomponent Adsorption Isothermsmentioning

confidence: 99%

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Modeling adsorption equilibria of xylene isomers in a microporous metal–organic framework

Bárcia

Nicolau

Gallegos

et al. 2012

Microporous and Mesoporous Materials

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a b s t r a c tSingle and multicomponent adsorption equilibria of xylene isomers: o-xylene (o-x), m-xylene (m-x), pxylene (p-x) and ethylbenzene (eb) was investigated on the three dimensional microporous metal-organic framework Zn(BDC)(Dabco) 0.5 (BDC = 1,4-benzenedicarboxylate, Dabco = 1,4-diazabicyclo[2.2.2]-octane), MOF 1, in the range of temperatures between 398 and 448 K and partial pressures up to 0.1 bar. The equilibrium data show that a significant amount (around 34 g/100g ads at 398 K) of xylene isomers can be adsorbed in MOF 1. The affinity to the adsorbent measured by the Henry's constants to decreases in the order o-x > m-x > eb > p-x for all temperatures. The zero coverage adsorption enthalpies are all similar and range from 77.4 (eb) to 79.8 kJ/mol (o-x). The Dual-Site Langmuir model (DSL) was used for the interpretation and correlation of the experimental data. The parameters obtained from the pure component isotherms fitting were also used to predict the multicomponent equilibrium data by an extended DSL model. A good agreement was obtained between the predictions and the experimental data. It was also demonstrated that the DSL model is also capable to explain the increase in the isosteric heat of sorption with increasing coverage.

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“…(6). Together with the operating conditions, the numerical values of the amount adsorbed for each equimolar quaternary breakthrough can also be found in the literature [37]. Fig.…”

Section: Multicomponent Adsorption Isothermsmentioning

confidence: 99%

“…Recently, Nicolau et al [37] have shown that the separation of o-x from the other C 8 components in Zn(1,4-BDC)(Dabco) 0.5 MOF, denoted as MOF 1, is quite efficient. ''BDC'' denotes 1,4-benzenedicarboxylate and ''Dabco'' denotes 1,4-diazabicyclo[2.2.2]-octane.…”

Section: Introductionmentioning

confidence: 99%

Modeling adsorption equilibria of xylene isomers in a microporous metal–organic framework

Bárcia

Nicolau

Gallegos

et al. 2012

Microporous and Mesoporous Materials

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“…The theoretical support from molecular simulation data will be useful to clarify the a Data taken from [25]. b Data taken from [24]. adsorption phenomena in MOF UiO-66, as well as, to explain the curious maxima in the equilibrium selectivity shown in Fig.…”

Section: Adsorption Of Quaternary Mixtures Of Hexane Isomersmentioning

confidence: 99%

Reverse shape selectivity in the adsorption of hexane and xylene isomers in MOF UiO-66

Bárcia

Guimarães

Mendes

et al. 2011

Microporous and Mesoporous Materials

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a b s t r a c tAn adsorption study of hexane and xylene isomers mixtures was addressed in a rigid zirconium terephthalate UiO-66 (UiO for University of Oslo) with octahedral and tetrahedral cavities of free diameter close to 1.1 nm and 0.8 nm, respectively. Multicomponent equimolar breakthrough experiments show that the adsorption hierarchy of structural isomers in UiO-66 is opposite to the one observed in conventional adsorbents. For hexane isomers, it was found that the amount adsorbed increases with the degree of branching, being 2,2-dimethylbutane (22DMB) and 2,3-dimethylbutane (23DMB) the more retained molecules. Regarding the xylene isomers, the results show that the adsorption of the bulkier ortho-xylene (oX) is favoured compared to its homologues. The structural similarity between MOF UiO-66 and zeolite MCM-22 suggests that the reverse shape selectivity observed in the adsorption of hexane and xylene isomers might be attributed to the rotational freedom of the molecules inside the small cavities.

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“…In general, dimensions of ortho ‐substituted isomers are larger than those of meta ‐ and para‐ substituted isomers for these substituted aromatics, e.g. EB ≅ para ‐xylene (0.67 nm) < meta ‐xylene (0.71 nm) < ortho ‐xylene (0.74 nm) . The column exhibited high selectivity for the ortho ‐substituted isomers.…”

Section: Resultsmentioning

confidence: 98%

A homochiral porous organic cage with large cavity and pore windows for the efficient gas chromatography separation of enantiomers and positional isomers

Zhang

Wang

2018

J of Separation Science

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Porous organic cages composed of discrete cage molecules have attracted considerable recent attention as gas adsorption materials and separation media. In this study, we report a homochiral porous organic cage CC5 with a large cavity and pore windows as a novel stationary phase for high-resolution gas chromatographic separations. The capillary column was prepared by a static coating method. A large number of racemic compounds have been resolved on the coated capillary column, including derivatized amino acids, alcohols, alcohol amines, esters, ethers, ketones, and epoxides. It is interesting that the CC5-coated capillary column exhibits significant chiral recognition complementarity to a commercial β-DEX 120 column and a previously reported homochiral porous organic cage CC3-R-coated column, which could expand the range of the analytes amenable to separation on porous organic cage-based capillary columns. Moreover, the fabricated column also shows excellent selectivity for the separation of positional isomers, including the challenging ethylbenzene and xylene isomers. Experimental results demonstrate an excellent separation performance and stability of the CC5-coated column, making it promising for gas chromatography applications.

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Single- and Multicomponent Vapor-Phase Adsorption of Xylene Isomers and Ethylbenzene in a Microporous Metal−Organic Framework

Cited by 96 publications

References 47 publications

Modeling adsorption equilibria of xylene isomers in a microporous metal–organic framework

Modeling adsorption equilibria of xylene isomers in a microporous metal–organic framework

Reverse shape selectivity in the adsorption of hexane and xylene isomers in MOF UiO-66

A homochiral porous organic cage with large cavity and pore windows for the efficient gas chromatography separation of enantiomers and positional isomers

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