Methane adsorption on microporous carbons—A comparison of experiment, theory, and simulation

Aukett, P.N.; Quirke, N.; Riddiford, S.M.; Tennison, S.R.

doi:10.1016/0008-6223(92)90015-o

Cited by 136 publications

(70 citation statements)

References 10 publications

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“…At the low pressures, the adsorbed molecules have the tendency to occupy the positions where the adsorbate-adsorbate interactions are less than the adsorbatepore interactions, corresponding to the energetically most favorable positions. At high pressures, the adsorbed molecules might occupy the central region of the pores and the increase of their packing leads to the greater density [44][45][46]. This is corroborated by the fact that the affinity of the zeolite NaA for CO 2 is highest than that of zeolites NaX and NaY (affinity for the CO 2 : NaA > NaX > NaY) at low pressures.…”

Section: Influence Of the Size Of Poressupporting

confidence: 52%

Advances in principal factors influencing carbon dioxide adsorption on zeolites

Bonenfant

Kharoune

Niquette

et al. 2008

Science and Technology of Advanced Materials

273

179

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We report the advances in the principal structural and experimental factors that might influence the carbon dioxide (CO 2 ) adsorption on natural and synthetic zeolites. The CO 2 adsorption is principally govern by the inclusion of exchangeable cations (countercations) within the cavities of zeolites, which induce basicity and an electric field, two key parameters for CO 2 adsorption. More specifically, these two parameters vary with diverse factors including the nature, distribution and number of exchangeable cations. The structure of framework also determines CO 2 adsorption on zeolites by influencing the basicity and electric field in their cavities. In fact, the basicity and electric field usually vary inversely with the Si/Al ratio. Furthermore, the CO 2 adsorption might be limited by the size of pores within zeolites and by the carbonates formation during the CO 2 chemisorption. The polarity of molecules adsorbed on zeolites represents a very important factor that influences their interaction with the electric field. The adsorbates that have the most great quadrupole moment such as the CO 2 , might interact strongly with the electric field of zeolites and this favors their adsorption. The pressure, temperature and presence of water seem to be the most important experimental conditions that influence the adsorption of CO 2 . The CO 2 adsorption increases with the gas phase pressure and decreases with the rise of temperature. The presence of water significantly decreases adsorption capacity of cationic zeolites by decreasing strength and heterogeneity of the electric field and by favoring the formation of bicarbonates. The optimization of the zeolites structural characteristics and the experimental conditions might enhance substantially their CO 2 adsorption capacity and thereby might give rise to the excellent adsorbents that may be used to capturing the industrial emissions of CO 2 .

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Section: Influence Of the Size Of Poressupporting

confidence: 52%

Advances in principal factors influencing carbon dioxide adsorption on zeolites

Bonenfant

Kharoune

Niquette

et al. 2008

Science and Technology of Advanced Materials

273

179

View full text Add to dashboard Cite

show abstract

“…In particular, density functional theory (DFT) in a sufficiently elaborate form has been used to provide an accurate description of simple (in practice atomic) fluids in geometrically simple confined spaces (5,6). Spherical nitrogen models have been employed in this context to develop practical methods for the evaluation of the pore structure over a wide range of pore sizes (7)(8)(9). Applications of DFT to the determination of PSDs include also the works of Olivier et al (10), Neimark et al (11), and Sosin and Quinn (12).…”

Section: Introductionmentioning

confidence: 99%

The Structure of Adsorbed CO2 in Slitlike Micropores at Low and High Temperature and the Resulting Micropore Size Distribution Based on GCMC Simulations

Samios

Stubos

Papadopoulos

et al. 2000

Journal of Colloid and Interface Science

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“…However, the equation fails to apply in micropores, mainly because, a "real" adsorbate phase of molecular dimensions cannot be defined. Molecular models, as for instance the Density Functional Theory (DFT) (Seaton et al, 1989;Lastoskie et al, 1993;Aukett et al, 1992;Ravikovitch et al, 1995;Sosin & Quinn 1995;Scaife et al, 2000;Jagiello & Thommes 2004;Nguyen & Bhatia 2004) and the Monte Carlo (MC) technique (Nilson et al, 2003;Do & Do 2005;Nguyen et al, 2005), can offer a more comprehensive representation of the pore filling process. DFT is computationally less demanding and can provide an accurate description when dealing with simple fluids (spherical molecules) and simple geometries.…”

Section: Introductionmentioning

confidence: 99%