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primary topic: Steric and energetic interpretations of the equilibrium adsorption of two new pyridinium ionic liquids and ibuprofen on a microporous activated carbon cloth: Statistical and COSMO-RS models

Steric and energetic interpretations of the equilibrium adsorption of two new pyridinium ionic liquids and ibuprofen on a microporous activated carbon cloth: Statistical and COSMO-RS models
type: AcademicArticle
type: Article
abstract: The adsorption isotherms of two new ionic liquids (4-tert-butyl-1-propylpyridinium bromide: IL1 and (4-ter-butyl-1-(2 carboxyethyl) pyridinium bromide: IL2) and ibuprofen (2-4-(2-methylpropyl) phenyl propanoic acid: IBP) on an activated carbon cloth were studied at 286, 298 and 313 K. Experimental adsorption isotherms were simulated by a single energy monolayer model using statistical physics, allowing to determine the number of molecules per site (n), the density of receptor sites (NM) and the concentration at half saturation (c1/2). Simulation results suggested that two adsorbates were docked per receptor sites of the activated carbon cloth surface. As a function of temperature, the study of the monolayer adsorbed quantity has indicated that the adsorption process is exothermic. The magnitudes of the estimated adsorption energies have indicated that IBP and ILs have been physisorbed on the adsorbent. The conductor-like screening model for real solvents (COSMO-RS) was applied to calculate three specific interaction energies of ILs and IBP with a graphene layer, i.e., the electrostatic misfit energy (EMF), the hydrogen-bonding energy (EHB) and the Van der Waals energy (EvdW). The COSMO-RS model has proved that the interaction of all the three studied adsorbates with a graphene layer mainly depends on the Van der Waals contribution. The highest interaction energies of IL2 and IBP with the carbon surface have been explained by the additional contribution of hydrogen bond attributed to the presence of a carboxyl group on these molecules. © 2016 Elsevier B.V..
date: 2016
volume: 414
is part of: Fluid Phase Equilibria
status: peerReviewed
status: published
author list: authors
type: EPrint
type: ArticleEPrint
is part of: repository

Elsevier
type: Organization

Fluid Phase Equilibria
type: Collection
issn: 03783812

A.B. Lamine
type: Person
given name: A.B.
family name: Lamine

L. Reinert
type: Person
given name: L.
family name: Reinert

L. Duclaux
type: Person
given name: L.
family name: Duclaux

S. Masson
type: Person
given name: S.
family name: Masson

L. Sellaoui
type: Person
given name: L.
family name: Sellaoui

S. Knani
type: Person
given name: S.
family name: Knani

J.-M. Levêque
type: Person
given name: J.-M.
family name: Levêque

M. Khalfaoui
type: Person
given name: M.
family name: Khalfaoui

H. Guedidi
type: Person
given name: H.
family name: Guedidi

https://khub.utp.edu.my/scholars/7077/
title: HTML Summary of #7077 Steric and energetic interpretations of the equilibrium adsorption of two new pyridinium ionic liquids and ibuprofen on a microporous activated carbon cloth: Statistical and COSMO-RS models
format: text/html
primary topic: Steric and energetic interpretations of the equilibrium adsorption of two new pyridinium ionic liquids and ibuprofen on a microporous activated carbon cloth: Statistical and COSMO-RS models