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231225s2017 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.7b02686
|2 doi
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|a pubmed24n0919.xml
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|a DE-627
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|a eng
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| 100 |
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|a Franco, Luís F M
|e verfasserin
|4 aut
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| 245 |
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|a Statistical Mechanical Model for Adsorption Coupled with SAFT-VR Mie Equation of State
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|c 2017
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 31.07.2018
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|a Date Revised 31.07.2018
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a We extend the SAFT-VR Mie equation of state to calculate adsorption isotherms by considering explicitly the residual energy due to the confinement effect. Assuming a square-well potential for the fluid-solid interactions, the structure imposed by the fluid-solid interface is calculated using two different approaches: an empirical expression proposed by Travalloni et al. ( Chem. Eng. Sci. 65 , 3088 - 3099 , 2010 ), and a new theoretical expression derived by applying the mean value theorem. Adopting the SAFT-VR Mie ( Lafitte et al. J. Chem. Phys. , 139 , 154504 , 2013 ) equation of state to describe the fluid-fluid interactions, and solving the phase equilibrium criteria, we calculate adsorption isotherms for light hydrocarbons adsorbed in a carbon molecular sieve and for carbon dioxide, nitrogen, and water adsorbed in a zeolite. Good results are obtained from the model using either approach. Nonetheless, the theoretical expression seems to correlate better the experimental data than the empirical one, possibly implying that a more reliable way to describe the structure ensures a better description of the thermodynamic behavior
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Economou, Ioannis G
|e verfasserin
|4 aut
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|a Castier, Marcelo
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 33(2017), 42 vom: 24. Okt., Seite 11291-11298
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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|g volume:33
|g year:2017
|g number:42
|g day:24
|g month:10
|g pages:11291-11298
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|u http://dx.doi.org/10.1021/acs.langmuir.7b02686
|3 Volltext
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|h 11291-11298
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