Estimation of adsorption energies using the physical characteristics of activated carbons and the molecular properties of volatile organic compounds

Giraudet, S., Pré, P., Tezel, H. and Le Cloirec, O. (2006) Estimation of adsorption energies using the physical characteristics of activated carbons and the molecular properties of volatile organic compounds. Carbon, 44 12: 2413-2421. doi:10.1016/j.carbon.2006.05.001


Author Giraudet, S.
Pré, P.
Tezel, H.
Le Cloirec, O.
Title Estimation of adsorption energies using the physical characteristics of activated carbons and the molecular properties of volatile organic compounds
Journal name Carbon   Check publisher's open access policy
ISSN 0008-6223
1873-3891
Publication date 2006-10-01
Sub-type Article (original research)
DOI 10.1016/j.carbon.2006.05.001
Open Access Status
Volume 44
Issue 12
Start page 2413
End page 2421
Total pages 9
Place of publication Oxford, United Kingdom
Publisher Pergamon
Language eng
Subject 090409 Wastewater Treatment Processes
Abstract Adsorption of volatile organic compounds (VOCs) by granular activated carbons (GACs) is a highly exothermic process and leads to temperature rises, which may reduce the separation efficiency. This study points out the significant characteristics of VOCs and GACs on adsorption energies. Adsorption energies were measured for a wide variety of VOCs, representative of different chemical groups, using 8 different commercial GACs with different porous structures. Afterwards a statistical analysis was applied to the experimental database thus obtained, which enabled one to pinpoint the most significant variables, linked to either VOC molecular properties or the intrinsic characteristics of GACs. Two statistical models have been tested: multi linear regression (MLR) and neuronal networks, and their efficiencies were compared in terms of prediction skill. The best results have been obtained from the MLR approach, which discriminated five different properties of the system. These variables were the polarisability, the heat of vaporization, the ionization potential and the surface tension for adsorbates and the mean micropore radius for GACs. The MLR model enabled one to compute integral adsorption enthalpies with a precision of around 10% and to draw conclusions on the dominant adsorption mechanisms.
Keyword Activated carbon
Adsorption
Differential scanning calorimetry
Modeling
Heat of adsorption
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
School of Chemical Engineering Publications
 
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