Courriel Impression

2013 Research activities

Direct access to :Tanh Binh Nguyen thesis
 Post-Doc of Dr. Dong Nguyen-Huynh
 Apprenticeship of L. Grandjean

Representation of oxygenated fluids associated with biomass valorization: descriptor definition

 Tanh Binh NGUYEN thesis defense, november 26, 2013 "Représentation des charges oxygénées associées à la valorisation de la biomasse: définition de descripteurs"
Publications :

Nguyen, T.B.; de Hemptinne, JC; Creton, B.; Kontogeorgis, G; Improving GC-PPC-SAFT equation of state for LLE of hydrocarbons and oxygenated compounds with water; 2014; Fluid Phase Equilibria; Vol 372, p 113-125.

One of the most remarkable result of this work is the quality of the predictive representation of octanol-water partition coefficients, as shown below:

2013-figure1

In this last work, it is proposed to use five well-defined and measurable properties in order to determine a molecular surrogate molecule that can be used for thermodynamic computations. The five properties are density, molecular weight, viscosity, refractive index and dielectric constant. The reconstruction procedure is summarized in this sketch.  

2013-figure2

 Post-Doc of Dr. Dong Nguyen-Huynh on "Thermodynamic modelling of symmetric and asymmetric mixtures of oxygenated and/or aromatic compounds using GC-PPC-SAFT"

  Apprenticeship of L. Grandjean on GC-PPC-SAFT extensions for industrial applications

 The quality of the model for representing both vapour liquid and liquid-liquid equilibria is illustrated in the figure below:

2013-figure3

VLE for ammonia + n-butane at (♢) 273.15 K and (□) 323.15 K. Symbols represent experimental data, solid lines are GC-PPC-SAFT VLE predictions, dotted lines are GC-PPC-SAFT LLE predictions. All kij = 0.

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