Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: Study of solid-liquid equilibria in binary systems
Identifieur interne : 000915 ( Main/Merge ); précédent : 000914; suivant : 000916Are 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.
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- 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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Gani</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-117806" status="INCOMING"><orgName>Computer Aided Process Engineering Center</orgName><orgName type="acronym">CAPEC</orgName><desc><address><addrLine>Soltofts Plads, Building 229 - Technical University of Denmark DK-2800 Lyngby</addrLine><country key="DK"></country></address></desc><listRelation><relation active="#struct-50787" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-50787" type="direct"><org type="institution" xml:id="struct-50787" status="VALID"><orgName>Technical University of Denmark [Lyngby]</orgName><desc><address><addrLine>Anker Engelunds Vej 1 Building 101A 2800 Kgs. Lyngby</addrLine><country key="DK"></country></address><ref type="url">http://www.dtu.dk/english</ref></desc></org></tutelle></tutelles></hal:affiliation><country>Danemark</country></affiliation></author></analytic><idno type="DOI">10.1016/j.fluid.2012.01.013</idno><series><title level="j">Fluid Phase Equilibria</title><idno type="ISSN">0378-3812</idno><imprint><date type="datePub">2012</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>Binary interaction parameter</term><term>PC-SAFT</term><term>Phase equilibria</term><term>Phase stability</term><term>SAFT</term><term>SLE</term><term>Solid-liquid</term></keywords></textClass></profileDesc></teiHeader><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></front></TEI></record>Pour manipuler ce document sous Unix (Dilib)
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