Water adsorption equilibria on microporous carbons correlated using a modification to the Sircar isotherm

Mahle, John J.; Friday, David K.

doi:10.1016/0008-6223(89)90033-x

Cited by 28 publications

(16 citation statements)

References 14 publications

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“…In all figures involving water adsorption, filled circles are data for the adsorption branch and open circles are for the desorption branch. The isotherms at 25 °C are similar to those reported by other investigators for BPL carbon at room temperature (Freeman and Reucroft, 1979;Barton et al, 1984; Mahle and Friday, 1989;Tsunoda, 1990;Hassan et al, 1991).…”

Section: Resultssupporting

confidence: 87%

“…The measurements of adsorption of pure water vapor on activated carbons have been limited to room temperature. Experimental investigations include consideration of the mechanism of water adsorption (Barton et al, 1984), studies of the effect of carbon oxidation on water adsorption and water hysteresis (Dubinin, 1980;Barton et al, 1984Barton et al, ,1991; Matsumura et al, 1985), estimation of pore sizes based on the water isotherm (Tsunoda, 1990), studies of heats of adsorption (Dubinin, 1980), and ways of correlating water isotherms (D'Arcy and Watt, 1970; Evans, 1987;Dubinin and Serpinsky, 1981; Mahle and Friday, 1989;Barton et al, 1991).…”

Section: Introductionmentioning

confidence: 99%

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Coadsorption of hydrocarbons and water on BPL activated carbon

Rudisill¹,

Hacskaylo²,

LeVan³

1992

Ind. Eng. Chem. Res.

121

139

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Section: Resultssupporting

confidence: 87%

Section: Introductionmentioning

confidence: 99%

Coadsorption of hydrocarbons and water on BPL activated carbon

Rudisill¹,

Hacskaylo²,

LeVan³

1992

Ind. Eng. Chem. Res.

121

139

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“…(c) The relative pressure at which pore filling occurs was lower for the models with functional groups and was below the saturation pressure for models with functional groups. This finding was consistent with what has been observed in experiments. − This is due to the greater interaction energy between water molecules and functional groups, and that leads to favorable nucleation of water clusters. (d) The hysteresis loop was smaller for models with functional groups as opposed to pristine models.…”

Section: Introductionsupporting

confidence: 91%

Computational Study of the Effect of Functional Groups on Water Adsorption in Mesoporous Carbons: Implications for Gas Adsorption

Peng

Vicent-Luna

Jain

et al. 2019

ACS Appl. Nano Mater.

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The adsorption and diffusion of water in realistic CMK-1, CMK-3, and CMK-5 carbon models at 300 K has been studied via grand canonical Monte Carlo and molecular dynamics simulations. The presence of −COOH and −OH functional groups has been found to be crucial to describe the adsorption process, while the models without functional groups are unable to capture the host−guest interactions. Functional groups were attached in cylindrical shells on the outer walls of CMK models in 2 and 4 cylindrical shells to study the effect of their concentration and location on water adsorption. The adsorption isotherm starts at a lower chemical potential, with water adsorbed near functional groups forming small clusters. On increasing chemical potential the water cluster grows and merges to form bigger clusters and completely fills the pores. We also analyzed the isosteric heat, radial distribution functions, hydrogen bond, and cluster size of water molecules. It indicates that the adsorption occurs due to the formation and growth of water clusters. For CMK-1, CMK-3, and CMK-5 models with functional groups, the pore filling happens at lower chemical potential, when compared to the models without functional groups, owing to the presence of active sites which favors the nucleation of water molecules. The effect of functional groups is also remarkable in the diffusion of water inside the pores of CMK-1, CMK-3, and CMK-5 models, lowering the mobility of the adsorbed molecules. The agreement between the results of the models with functional groups and the experimental observations makes the presence of these groups necessary to study the adsorption and diffusion of water in CMK-1, CMK-3, and CMK-5 carbon models.

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“…Reviews of much of the available literature dealing with water and water−organic adsorption are given in the previous papers of this series, − which include discussions of both experiments and modeling. While most experimental measurements for pure water were obtained near room temperature, − Rudisill et al obtained adsorption and desorption water isotherms on BPL-activated carbon at five different temperatures.…”

Section: Introductionmentioning

confidence: 99%

Coadsorption of Organic Compounds and Water Vapor on BPL Activated Carbon. 4. Methanol, Ethanol, Propanol, Butanol, and Modeling

Taqvi

and

LeVan

1998

Ind. Eng. Chem. Res.

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A volumetric apparatus was used to measure adsorption equilibria for alcohols and their mixtures with water on BPL activated carbon. Pure alcohol isotherms are reported for methanol, ethanol, propanol, and butanol at 25, 50, 75, and 100 °C over a large pressure range. Binary equilibria are reported for each alcohol coadsorbed with water at 25 and 100 °C including hysteresis for all systems. Enhanced water adsorption was observed in the presence of all alcohols, and enhanced alcohol adsorption was observed for methanol and ethanol. Pure alcohol isotherms are described using a multitemperature Toth equation, and binary equilibria are modeled with the virial mixture coefficient method.

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Water adsorption equilibria on microporous carbons correlated using a modification to the Sircar isotherm

Cited by 28 publications

References 14 publications

Coadsorption of hydrocarbons and water on BPL activated carbon

Coadsorption of hydrocarbons and water on BPL activated carbon

Computational Study of the Effect of Functional Groups on Water Adsorption in Mesoporous Carbons: Implications for Gas Adsorption

Coadsorption of Organic Compounds and Water Vapor on BPL Activated Carbon. 4. Methanol, Ethanol, Propanol, Butanol, and Modeling

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