Complex fluid thermodynamics

Outline

Thermodynamics deals with the evolution of closed and open systems under the action of external forces that produce work and exchange heat.

The Laboratoire de Génie Chimique carries on experimental activities as well as modelling and theoretical ones that help solve industrial issues related to phase equilibria and physico-chemical properties in chemical processes.

The LGC is a fouding member of the CNRS GDR Thermodynamique Moléculaire et des procédés, UMR3541 since april 2012. The GDR, a nation-wide focus group on thermodynamics is currently directed by V. Gerbaud, member of the LGC.

Weblink to GDR website: http://gdr-thermodynamique.cnrs.fr/

The GDR Thermodynamique Moléculaire et des Procédés has built a public database GDRTech that enables to find experimental facilities and expertise for the measurement of physico-chemical properties in France. Several LGC apparatus and expertises are listed..

Link to GDRTech database: http://gdr-thermodynamique.cnrs.fr/spip.php?article123

 

 

Activity domains in thermodynamics at LGC

Solid – liquid systems:

  • Measurement and prediction of active principle solubility in various solvents
  • Metals phase diagrams
  • Fusion curves of vegetable oils
  • Molten salts purification

Electrolytic systems:

  • Measurement of water activity and of volume of mixing to determine the hydration number of sugars in solution. Use of Pitzer model. Intramembrane transfer in presence of salts and sugars.
  • Modelling of acid-base equilibria in wine. Monitoring of pH in fermentation broth.
  • Osmotic virial equation of state in colloïdal systems

Liquid – vapour systems

  • Simulation of residue curve maps for the design of distillation column
  • Fitting of VLE data and excess properties using activity coefficient model (NRTL, UNIFAC UNIQUAC, …)

Supercritical media

  • Measurement and modelling of supercritical CO2-solvent and gas expanded liquids properties

Nonequilibrium systems

  • Second law
  • Linear nonequilibrium thermodynamics
  • Nonlinear thermodynamics
  • Self organized criticality in economics and social science

Models

  • Development of thermodynamic models with complex mixing rules for S-L1-L2-V-sC system with strong electrolytes HIx- H2SO4
  • SAFT equation of state (PC-SAFT, soft-SAFT)
  • First principle models (COSMO-SAC)
  • Molecular simulation (DM & MC, NPT, NVT, Gibbs ensemble Monte Carlo, Mesoscale dynamics)
  • Agglomeration modelling

Processes

  • Pinch analysis and exergy
  • Exergy balance in a process simulator
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