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ProSim - Simulis Thermodynamics - Un serveur ... - SFGP

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NRTL-PR<br />

Equation d’état : Peng-Robinson 78<br />

Règles de mélange :<br />

Terme attractif :<br />

Covolume :<br />

a<br />

p<br />

( T) a ( T) E<br />

b<br />

p<br />

= ∑<br />

=<br />

i<br />

1<br />

b = ∑ x b<br />

i=<br />

1<br />

i<br />

i<br />

x<br />

i<br />

i<br />

b<br />

i<br />

− g<br />

nonather<br />

Modèle d’énergie libre d’excès : type NRTL, méthode prédictive par<br />

contribution de groupes<br />

g<br />

E<br />

nonather<br />

=<br />

p<br />

∑<br />

i=<br />

1<br />

q<br />

i<br />

x<br />

p<br />

∑<br />

i<br />

j=<br />

1<br />

p<br />

∑<br />

m=<br />

1<br />

q<br />

j<br />

q<br />

x<br />

m<br />

j<br />

G<br />

x<br />

ji<br />

m<br />

G<br />

mi<br />

Γ<br />

ji<br />

Neau et al. Polish J. Chem (2006)<br />

Escandell J., PhD thesis (2008)<br />

Neau et al., Ind. Eng. Chem. Res. (2010)<br />

Neau et al., Ind. Eng. Chem. Res. (2010)<br />

www.prosim.net<br />

<strong>Simulis</strong> <strong>Thermodynamics</strong> - <strong>Un</strong> <strong>serveur</strong> thermodynamique complet, évolutif et ouvert – Olivier Baudouin<br />

<strong>SFGP</strong> groupes IEP & Thermodynamiques – Toulouse – 12 Mai 2011

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