NDLI: Thermodynamic study of seven micropollutants adsorption onto an activated carbon cloth: Van’t Hoff method, calorimetry, and COSMO-RS simulations

Content Provider	Springer Nature Link
Author	Masson, Sylvain Vaulot, Cyril Reinert, Laurence Guittonneau, Sylvie Gadiou, Roger Duclaux, Laurent
Copyright Year	2016
Abstract	The thermodynamic of the adsorption of seven organic pollutants, namely benzotriazol, bisphenol A, caffeine, carbamazepine, diclofenac, ofloxacin, and pentachlorophenol, was studied on a microporous-activated carbon fabric. The isosteric adsorption quantities (Gibbs energy, enthalpy, and entropy variations) at high coverage ratio (around 1 mmol/g) have been determined from the adsorption isotherms at three temperatures (13, 25, and 40 °C). The adsorption heats at very low coverage (about 10$^{−5}$ mmol/g) have been measured by flow micro calorimetry. The experimental adsorption energies were correlated to the adsorbate-adsorbent and the adsorbate-solvent interaction energies calculated by simulations using the COSMO-RS model. The main role of the van der Waals forces in the adsorption of the studied molecules was established. The bulkier the adsorbate is, the lower the adsorption Gibbs energy variation at high coverage deduced from the isotherms. The heterogeneity of the adsorption sites was brought out by calorimetric measurements. At high coverage, a physisorption phenomenon was observed. At very low coverage, high values of the adsorption heats were found (ranging from −58 to −110 kJ/mol), except for pentachlorophenol characterized by an athermal adsorption controlled by Pi-anions interactions.
Starting Page	10005
Ending Page	10017
Page Count	13
File Format	PDF
ISSN	09441344
Journal	Environmental Science and Pollution Research
Volume Number	24
Issue Number	11
e-ISSN	16147499
Language	English
Publisher	Springer Berlin Heidelberg
Publisher Date	2016-10-02
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Micropollutants Adsorption Activated carbon cloth Interaction energy Isotherms Thermodynamic Cosmo-RS Calorimetry Environment Environmental Chemistry Ecotoxicology Environmental Health Atmospheric Protection/Air Quality Control/Air Pollution Waste Water Technology Water Pollution Control Water Management Aquatic Pollution
Content Type	Text
Resource Type	Article
Subject	Environmental Chemistry Health, Toxicology and Mutagenesis Pollution Medicine

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