Granero-Fernandez, Emanuel and Machin, Devin and Lacaze-Dufaure, Corinne
and Camy, Séverine
and Condoret, Jean-Stéphane
and Gerbaud, Vincent
and Charpentier, Paul and Medina-Gonzalez, Yaocihuatl
CO2‑Expanded alkyl acetates: physicochemical and molecular modeling study and applications in chemical processes.
(2018)
ACS Sustainable Chemistry and Engineering, 6. 7627-7637.
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(Document in English)
PDF (Author's version) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader 3MB |
Official URL: http://doi.org/10.1021/acssuschemeng.8b00454
Abstract
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.
Item Type: | Article |
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Additional Information: | Thanks to ACS editor. The original PDF of the article can be found at https://pubs.acs.org/doi/10.1021/acssuschemeng.8b00454 |
HAL Id: | hal-01808278 |
Audience (journal): | International peer-reviewed journal |
Uncontrolled Keywords: | |
Institution: | French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE) Université de Toulouse > Institut National Polytechnique de Toulouse - INPT (FRANCE) Université de Toulouse > Université Toulouse III - Paul Sabatier - UPS (FRANCE) Other partners > University of Western Ontario - UWO (CANADA) |
Laboratory name: | |
Funders: | French Ministry for Higher Education and ResearchNSERCFonds France Canada pour la Recherche |
Statistics: | download |
Deposited By: | Yaocihuatl MEDINA GONZALEZ |
Deposited On: | 05 Jun 2018 13:27 |
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