TASSIN NATALIA GISELLE
Artículos
Título:
Activity coefficients in nearly athermal mixtures predicted from equations of state: Don't blame the cubic when it is the lack of a third parameter!
Autor/es:
TASSIN, NATALIA GISELLE; RODRÍGUEZ REARTES, SABRINA BELÉN; CISMONDI, MARTÍN
Revista:
FLUID PHASE EQUILIBRIA
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2020
ISSN:
0378-3812
Resumen:
he idea that cubic EoS´s are very primitive and limited models, quite extended at present among researchers working on fluid properties and phase equilibria, has different roots, including some limitations observed specifically for classic and popular equations like Peng-Robinson (PR) or Soave-Redlich-Kwong (SRK). These are two-parameter models, i.e. they have only an attractive and a repulsive parameter to characterize each molecule, while other models like SAFT but also cubic ?and still for non-associating molecules-introduce also a third parameter related somehow to the molecular structure or shape. One of the alluded limitations, actually a very clear one, is the complete failure in describing the non-ideality in nearly athermal mixtures, like those composed of n-alkanes with different chain lengths: SRK and PR predict positive deviations from ideality, which increase with the system asymmetry, while experimental measurements show exactly the opposite, i.e. increasing negative dev