OATAO - Open Archive Toulouse Archive Ouverte Open Access Week

Crossover soft-SAFT modelling of the CO2+NO2/N2O4 mixture

Belkadi, Abdelkrim and Gerbaud, Vincent and Vega, Lourdes F. Crossover soft-SAFT modelling of the CO2+NO2/N2O4 mixture. (2008) In: 11th European Meeting on Supercritical Fluids (EMSCF 11), 2008 may 4-7, Barcelona, Spain .

[img]
Preview
(Document in English)

PDF (Full paper) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
168kB

Abstract

Accurate thermo-physical properties are mandatory for all industrial applications. However, experimental data are often scarce and models are needed for the estimation of properties. Such is the case in supercritical processes like the selective oxidation of vegetal macromolecules in mixture NO2/N2O4 – supercritical CO2 aiming at producing body-degradable polymers readily usable for inside body surgery. The so-called crossover soft-SAFT equation of state is used to model the pure compounds and the mixture. The quadrupolar effect is explicitly considered when modeling carbon dioxide, obtaining excellent agreement for the whole phase equilibrium diagram. NO2 is modeled as a self associating molecule with a single association site. Finally, CO2 and NO2 pure compound parameters are used to predict the vapor – liquid coexistence of the CO2 + NO2 / N2O4 mixture at different temperatures. Experimental pressure – CO2 mass fraction isotherms recently measured are used for comparison. Good agreement is obtained with the use of a unique binary parameter, independent of thermodynamic conditions, although more experimental data would be useful to conclude about the accuracy of the calculation.

Item Type:Conference or Workshop Item (Paper)
Additional Information:This paper is available in : 11th European Meeting on Supercritical Fluids (ISBN 2-905267-55-0) published by AIPFS : http://www.isasf.net/Pages/French/main.php?action=proceedingBuy
Audience (conference):International conference proceedings
Uncontrolled Keywords:
Institution:Other partners > Consejo Superior de Investigaciones Científicas - CSIC (SPAIN)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT
Other partners > Universitat Autònoma de Barcelona - UAB (SPAIN)
Université de Toulouse > Université Paul Sabatier-Toulouse III - UPS
French research institutions > Centre National de la Recherche Scientifique - CNRS
Laboratory name:
Statistics:download
Deposited By: Vincent GERBAUD

Repository Staff Only: item control page