Abstract
This work is a theoretical investigation of the ethanol adsorption on metal organic framework. The main objective of this work is to explain the adsorption isotherms at different temperatures in order to relate this process by physicochemical parameters. A proposed statistical physics model called ‘multilayer model with saturation’ was selected and applied to interpret the adsorption data. Five physicochemical parameters in relation with the adsorption process were included, such as the number of ethanol molecules per site (n), the receptor site density (NM), the number of adsorbed layers (N2) and the adsorption energies (− ΔE1) and (− ΔE2). The equilibrium data were interpreted through these parameters. Simulation results showed that the adsorption of ethanol molecules is multi-molecular process. The study of the total saturation adsorbed quantity indicates that the adsorption process is exothermic. The magnitudes of the calculated adsorption energy indicate that the ethanol molecules are physisorbed on metal organic framework. Van der Waals interactions are implicated in the adsorption process.
| Original language | English |
|---|---|
| Pages (from-to) | 537-542 |
| Number of pages | 6 |
| Journal | Journal of Molecular Liquids |
| Volume | 233 |
| DOIs | |
| Publication status | Published - May 1 2017 |
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All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Spectroscopy
- Physical and Theoretical Chemistry
- Materials Chemistry
Cite this
Physicochemical parameters interpretation for adsorption equilibrium of ethanol on metal organic framework : Application of the multilayer model with saturation. / Sellaoui, Lotfi; Saha, Bidyut Baran; Wjihi, Sarra; Lamine, Abdelmottaleb Ben.
In: Journal of Molecular Liquids, Vol. 233, 01.05.2017, p. 537-542.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Physicochemical parameters interpretation for adsorption equilibrium of ethanol on metal organic framework
T2 - Application of the multilayer model with saturation
AU - Sellaoui, Lotfi
AU - Saha, Bidyut Baran
AU - Wjihi, Sarra
AU - Lamine, Abdelmottaleb Ben
PY - 2017/5/1
Y1 - 2017/5/1
N2 - This work is a theoretical investigation of the ethanol adsorption on metal organic framework. The main objective of this work is to explain the adsorption isotherms at different temperatures in order to relate this process by physicochemical parameters. A proposed statistical physics model called ‘multilayer model with saturation’ was selected and applied to interpret the adsorption data. Five physicochemical parameters in relation with the adsorption process were included, such as the number of ethanol molecules per site (n), the receptor site density (NM), the number of adsorbed layers (N2) and the adsorption energies (− ΔE1) and (− ΔE2). The equilibrium data were interpreted through these parameters. Simulation results showed that the adsorption of ethanol molecules is multi-molecular process. The study of the total saturation adsorbed quantity indicates that the adsorption process is exothermic. The magnitudes of the calculated adsorption energy indicate that the ethanol molecules are physisorbed on metal organic framework. Van der Waals interactions are implicated in the adsorption process.
AB - This work is a theoretical investigation of the ethanol adsorption on metal organic framework. The main objective of this work is to explain the adsorption isotherms at different temperatures in order to relate this process by physicochemical parameters. A proposed statistical physics model called ‘multilayer model with saturation’ was selected and applied to interpret the adsorption data. Five physicochemical parameters in relation with the adsorption process were included, such as the number of ethanol molecules per site (n), the receptor site density (NM), the number of adsorbed layers (N2) and the adsorption energies (− ΔE1) and (− ΔE2). The equilibrium data were interpreted through these parameters. Simulation results showed that the adsorption of ethanol molecules is multi-molecular process. The study of the total saturation adsorbed quantity indicates that the adsorption process is exothermic. The magnitudes of the calculated adsorption energy indicate that the ethanol molecules are physisorbed on metal organic framework. Van der Waals interactions are implicated in the adsorption process.
UR - http://www.scopus.com/inward/record.url?scp=84998799539&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84998799539&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2016.07.017
DO - 10.1016/j.molliq.2016.07.017
M3 - Article
AN - SCOPUS:84998799539
VL - 233
SP - 537
EP - 542
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
SN - 0167-7322
ER -