CO2‑Expanded alkyl acetates: physicochemical and molecular modeling study and applications in chemical processes
| Autor: | Jean-Stéphane Condoret, Yaocihuatl Medina-Gonzalez, Devin Machin, Corinne Lacaze-Dufaure, Séverine Camy, Emanuel Granero-Fernandez, Vincent Gerbaud, Paul A. Charpentier |
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| Přispěvatelé: | Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, University of Western Ontario (UWO), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Western Ontario - UWO (CANADA), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - INPT (FRANCE), Laboratoire de génie chimique ( LGC ), Institut National Polytechnique [Toulouse] ( INP ) -Université Paul Sabatier - Toulouse 3 ( UPS ) -Centre National de la Recherche Scientifique ( CNRS ), University of Western Ontario ( UWO ), Centre interuniversitaire de recherche et d'ingenierie des matériaux ( CIRIMAT ) |
| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Materials science
Molecular model General Chemical Engineering Matériaux 02 engineering and technology 010402 general chemistry 01 natural sciences Molecular dynamics Viscosity chemistry.chemical_compound [CHIM.GENI]Chemical Sciences/Chemical engineering Phase (matter) Environmental Chemistry Génie chimique Spectroscopy Solvent properties [ CHIM.GENI ] Chemical Sciences/Chemical engineering Alkyl chemistry.chemical_classification Renewable Energy Sustainability and the Environment Gas-expanded liquids Nile red General Chemistry 021001 nanoscience & nanotechnology Biosourced solvents 0104 chemical sciences [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry chemistry Chemical engineering [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry Alkyl acetates Hypsochromic shift Green solvents 0210 nano-technology |
| Zdroj: | ACS Sustainable Chemistry & Engineering ACS Sustainable Chemistry & Engineering, American Chemical Society, 2018, 6 (6), pp.7627-7637. ⟨10.1021/acssuschemeng.8b00454⟩ ACS Sustainable Chemistry and Engineering ACS Sustainable Chemistry and Engineering, American Chemical Society, 2018, 6 (6), pp.7627-7637. 〈10.1021/acssuschemeng.8b00454〉 |
| ISSN: | 2168-0485 |
| DOI: | 10.1021/acssuschemeng.8b00454⟩ |
| Popis: | International audience; Different physicochemical properties of CO2-expanded alkyl acetates (methyl, ethyl, propyl, and isoamyl acetates) have been studied by experimental and molecular modeling methods. Changes in the π* Kamlet−Taft parameter with CO2 pressure were determined by UV−vis spectroscopy by following the hypsochromic shift of Nile Red. Modeling of the systems by molecular dynamics (MD) and equation of state (EoS) methods to assess physical equilibrium, density, and viscosity were performed in order to fully characterize these media with the aim to control the physicochemical properties of these phases by pressure and temperature. The studied expanded phases were used in the fabrication of TiO2 microparticles and the morphological properties measured. It is clear from this study that density, viscosity, and polarity of the expanded phase plays a key role in the morphological properties of the particles obtained. On the basis of these results, we propose these green media and CO2 pressure as a way to control the properties of semiconductor microparticles. |
| Databáze: | OpenAIRE |
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