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Les liens vers les livrables et les publications des projets du 7e PC, ainsi que les liens vers certains types de résultats spécifiques tels que les jeux de données et les logiciels, sont récupérés dynamiquement sur OpenAIRE .
Résultats exploitables
The research carried out within this project can be divided into two parts:
Modelling Equations of State Simulating Polar Fluid Mixtures
A Gibbs' ensemble Monte Carlo program has been developed and tested, which allows direct computation of densities and compositions of coexisting phasesin fluid mixtures. The program has been used to study the phase behaviour of pure methanol and methanol-methane mixtures. In addition Monte Carlo andmolecular dynamics studies have been carried out of methanol, methanol/ water microdroplets, alkanol/alkane and alkanol/tetra mixtures.
The modelling of thermodynamic and phase behaviour of mixtures of associating fluids using the equation of state (EOS) approach based on thegroup-contribution methods was conducted. The method has been extended to include polar and associating groups. Several methods have been used andcompared, representing the basic alternative approaches to describe phase equilibria in associating systems.
Recherche de données OpenAIRE...
Une erreur s’est produite lors de la recherche de données OpenAIRE
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