Simulation software (Aspen, Simulis, PRO / II suite) are essential for process optimization and design and requires thermodynamic models capable of predicting phase equilibria and energy properties without resorting to experimental data. To answer this demand, we develop several models using the concept of group contributions. It is the only knowledge of molecule chemical structure present in a mixture. It makes possible to predict its properties. We also perform experimental measurements (ebulliometry, chromatography, densimetry, critical point measurements, etc.) to characterize the thermodynamic behaviour of pure substances and mixtures. One of our goals is to implement a thermo-environmental approach to design eco-efficient (using green solvents) and energy optimized processes.
- Development of innovative and predictive state equations according to precise simulation of processes (chemical industry or energy conversion).
- Development of algorithms coupling resolution of phase equilibrium conditions and stability analysis.
- Experimental determination of phase diagrams, infinite dilution coefficients of activity, densities, heat capacities, enthalpies.
- Use of the product-design approach for the design of neoteric solvents such as ionic liquids or new working fluids for thermodynamic cycles.