Ibrahim Khalil

Dr. Ibrahim Khalil


Research Focus & Metrics

Academic Career Length

9Years (2018-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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7 February 2020 in Green Chemistry
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Journal Article
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IKIbrahim Khalil
Ibrahim Khalil
GQGreg Quintens
Greg Quintens
Tanja JunkersTanja Junkers
Tanja Junkers
MDMichiel Dusselier
Michiel Dusselier
Muconic acid (MA) is a high value-added dicarboxylic acid with conjugated double bonds, presenting three isomeric forms, i.e., cis,cis-MA, cis,trans-MA and trans,trans-MA. Its production is garnering increased interest owing to its potential as a starting material for the synthesis of value-added products as well as by being a versatile monomer for the production of specialty polymers. This review presents a systematic overview of production and synthesis routes to MA isomers as well as the routes for its final valorization. The production of MA through chemical pathways and the progress developed in the biotechnological pathways will be discussed. Traditional and new processes for achieving successful isomerization into the value-added trans,trans form of MA are also discussed and compared, with their constraints and possible solutions. The valorization of the three different isomers of MA into value-added chemicals such as adipic or terephthalic acids and MA polymers are summarized. Finally, the review concludes with a thorough summary, a practical insights section and an outlook. This work thus offers new perspectives and guidelines to tackle the challenges in MA chemistry, especially when aiming to combine an efficient biotechnological production of MA with its valorization.

29 October 2018 in The Journal of Physical Chemistry C
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Journal Article
Closed access
IKIbrahim Khalil
Ibrahim Khalil
HJHicham Jabraoui
Hicham Jabraoui
GMGuillaume Maurin
Guillaume Maurin
SLSébastien Lebègue
Sébastien Lebègue
Michael BadawiMichael Badawi
Michael Badawi
FMFrancoise Maugé
Francoise Maugé

27 March 2019 in Molecular Systems Design & Engineering
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Journal Article
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HJHicham Jabraoui
Hicham Jabraoui
IKIbrahim Khalil
Ibrahim Khalil
SLSébastien Lebègue
Sébastien Lebègue
Michael BadawiMichael Badawi
Michael Badawi
Using periodic density functional theory calculations combined with four dispersion-correction schemes, we have investigated the adsorption of phenol, toluene and water for various cation-exchanged faujasite zeolites. In the context of purifying the biofuels derived from the catalytic cracking of lignocellulosic bio-oils in a fluid catalytic cracking (FCC) unit, our aim was to find a suitable material with a higher affinity for phenol versus toluene and water, which are also present in the biofuel charge. In order to identify the most promising adsorbent materials, we have undertaken a full screening of monovalent cations which can be incorporated into the faujasite-type zeolite (FAU). We have evidenced that phenol can be adsorbed in two modes: O-interaction (where phenol is adsorbed via its oxygen) and π-interaction (where phenol is adsorbed via its aromatic ring). The screening of the interaction energies of the different exchanged zeolites showed that over HFAU the phenol is selectively adsorbed via O-interaction, contrary to what is observed over alkali and transition metal exchanged zeolites where the π-interaction dominates for the adsorption of phenol, leading to weaker interaction with the zeolite compared to toluene. On the Lewis modeled acid sites, namely the defect Lewis acid site (D-LAS) and the extraframework Lewis acid site (EX-LAS), the two interaction modes of phenol show almost equivalent interaction energies. In terms of selectivity, HFAU is the most selective to phenol adsorption towards O-interaction even in the presence of toluene and H2O molecules. Both adsorption modes of phenol present a higher interaction energy than those of toluene and H2O once adsorbed over an EX-LAS. The alkali and metallic cations have a high affinity for toluene molecules, which prohibit their use for the biofuel purification process.

1 December 2020 in Chemical Engineering Journal
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Journal Article
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IKIbrahim Khalil
Ibrahim Khalil
HJHicham Jabraoui
Hicham Jabraoui
SLSébastien Lebègue
Sébastien Lebègue
WKWon June Kim
Won June Kim
LALuis-Jacobo Aguilera
Luis-Jacobo Aguilera
Michael BadawiMichael Badawi
Michael Badawi

1 February 2020 in Journal of Hazardous Materials
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Journal Article
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IKIbrahim Khalil
Ibrahim Khalil
KTKarine Thomas
Karine Thomas
HJHicham Jabraoui
Hicham Jabraoui
PBPhilippe Bazin
Philippe Bazin
FMFrancoise Maugé
Francoise Maugé

3 September 2021 in Angewandte Chemie International Edition
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Journal Article
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QKQuanli Ke
Quanli Ke
IKIbrahim Khalil
Ibrahim Khalil
BSBrent Smeyers
Brent Smeyers
ZLZheng Li
Zheng Li
RORodrigo de Oliveira‐Silva
Rodrigo de Oliveira‐Silva
MDMichiel Dusselier
Michiel Dusselier