Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: Study of solid-liquid equilibria in binary systems
Identifieur interne : 000844 ( Main/Curation ); précédent : 000843; suivant : 000845Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: Study of solid-liquid equilibria in binary systems
Auteurs : R. Privat [France] ; E. Conte [Danemark] ; J. N. Jaubert [France] ; R. Gani [Danemark]Source :
- Fluid Phase Equilibria [ 0378-3812 ] ; 2012.
English descriptors
- mix :
Abstract
In a previous work, some irregular behaviours of the PC-SAFT EoS - and more generally of SAFT-type EoS - were pointed out for pure components at low temperatures. In particular, it was shown that for pure fluids at a fixed temperature and pressure, these equations of state were likely to exhibit up to five molar volumes, thus leading to the simultaneous existence of pseudo liquid-liquid and liquid-vapour phase equilibria at a same temperature. In this work, low-temperature calculations are performed using the PC-SAFT EoS which is combined with a fugacity model for the solid phase in order to predict solid-liquid phase equilibria. It is shown that when varying the binary-interaction parameter of the PC-SAFT equation, non-feasible phase diagrams may be calculated including for instance, the presence of a liquid-liquid azeotrope, of a liquid-liquid-solid-solid four-phase equilibrium or the simultaneous existence of several eutectic points.
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DOI: 10.1016/j.fluid.2012.01.013
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<front><div type="abstract" xml:lang="en">In a previous work, some irregular behaviours of the PC-SAFT EoS - and more generally of SAFT-type EoS - were pointed out for pure components at low temperatures. In particular, it was shown that for pure fluids at a fixed temperature and pressure, these equations of state were likely to exhibit up to five molar volumes, thus leading to the simultaneous existence of pseudo liquid-liquid and liquid-vapour phase equilibria at a same temperature. In this work, low-temperature calculations are performed using the PC-SAFT EoS which is combined with a fugacity model for the solid phase in order to predict solid-liquid phase equilibria. It is shown that when varying the binary-interaction parameter of the PC-SAFT equation, non-feasible phase diagrams may be calculated including for instance, the presence of a liquid-liquid azeotrope, of a liquid-liquid-solid-solid four-phase equilibrium or the simultaneous existence of several eutectic points.</div>
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