Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane.

Biomass Catalysis Kinetics Oils Temperature
DFT Hydrogenolysis Intrinsic reaction coordinates Oxolane Thiolane Transition State

Journal

Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237

Informations de publication

Date de publication:
11 2022
Historique:
received: 13 02 2022
revised: 22 06 2022
accepted: 05 07 2022
pubmed: 26 7 2022
medline: 16 8 2022
entrez: 25 7 2022
Statut: ppublish

Résumé

Bio-oils obtained from biomass contain heteroatoms compounds, like oxolane and thiolane. It is quite difficult for industrialist to purify such refractory bio-oils. One of the efficient strategies for the elimination of heteroatoms is hydrogenolysis process, which results in the formation of H

Identifiants

DOI: 10.1016/j.jmgm.2022.108268 PMID: 35872464
pubmed: 35872464
pii: S1093-3263(22)00147-4
doi: 10.1016/j.jmgm.2022.108268
pii:
doi:

Substances chimiques

Oils 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

108268

Informations de copyright

Copyright © 2022 Elsevier Inc. All rights reserved.

Auteurs

Simplice Koudjina (S)

Laboratory of Theoretical Chemistry and Molecular Spectroscopy (LACTHESMO), University of Abomey-Calavi (UAC), 03 BP 3409, Cotonou, Benin; National School of Applied Biosciences and Biotechnologies (ENSBBA) National University of Sciences, Technologies, Engineering and Mathematics (UNSTIM), BP 2282, Goho Abomey, Benin. Electronic address: simplice.koudjina@unstim.bj.

Wilfried G Kanhounnon (WG)

Laboratory of Theoretical Chemistry and Molecular Spectroscopy (LACTHESMO), University of Abomey-Calavi (UAC), 03 BP 3409, Cotonou, Benin; Laboratory of Physics and Theoretical Chemistry, UMR 7019, CNRS University of Lorraine, Nancy, France.

Gaston A Kpotin (GA)

Laboratory of Theoretical Chemistry and Molecular Spectroscopy (LACTHESMO), University of Abomey-Calavi (UAC), 03 BP 3409, Cotonou, Benin.

Affi Sopi Thomas (AS)

Laboratory of Thermodynamics and Physico-Chemistry of Medium (LTPCM), UFR-SFA, University of Nangui Abrogoua, 02 B.P. 801, Abidjan, Republic of Côte d'Ivoire.

René Sawadogo (R)

Laboratory of Molecular Chemistry and Materials University of Ouagadougou, UFR/SEA, 03 BP 7021, Burkina Faso.

Abderrahmane Semmeq (A)

Laboratory of Physics and Theoretical Chemistry, UMR 7019, CNRS University of Lorraine, Nancy, France.

Naveen Kosar (N)

Department of Chemistry, University of Management and Technology (UMT), C11, Johar Town, Lahore, Pakistan.

Michael Badawi (M)

Laboratory of Physics and Theoretical Chemistry, UMR 7019, CNRS University of Lorraine, Nancy, France.

Tariq Mahmood (T)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus Abbottabad, 22060, Pakistan; Department of Chemistry, College of Science, University of Bahrain, P.O. Box 32038, Bahrain. Electronic address: mahmood@cuiatd.edu.pk.

Guy Y S Atohoun (GYS)

Laboratory of Theoretical Chemistry and Molecular Spectroscopy (LACTHESMO), University of Abomey-Calavi (UAC), 03 BP 3409, Cotonou, Benin.

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Classifications MeSH

Recherchemedicale.com › Environnement et santé publique › Environnement › Écosystème › Biomasse › Quantum chemical hydrogenolysis strategy for...
Recherchemedicale.com › Phénomènes chimiques › Catalyse › Quantum chemical hydrogenolysis strategy for...
Recherchemedicale.com › Phénomènes chimiques › Phénomènes biochimiques › Cinétique › Quantum chemical hydrogenolysis strategy for...
Recherchemedicale.com › Lipides › Huiles › Quantum chemical hydrogenolysis strategy for...
Recherchemedicale.com › Environnement et santé publique › Environnement › Concepts météorologiques › Atmosphère › Temps (météorologie) › Température › Quantum chemical hydrogenolysis strategy for...