Development of a New Group Contribution Equation of State for associating compounds

被引：2
作者：
Tasios, George [1 ]
Louli, Vasiliki [1 ]
Skouras, Stathis [2 ]
Solbraa, Even [2 ]
Voutsas, Epaminondas [1 ]
机构：
[1] Natl Tech Univ Athens, Sch Chem Engn, Lab Thermodynam & Transport Phenomena, 9 Heroon Polytech Str,Zografou Campus, Athens 15780, Greece
[2] Equinor ASA, R&T Ctr, Arkitekt Ebbells Veg 10, NO-7005 Trondheim, Norway
来源：
FLUID PHASE EQUILIBRIA | 2023年 / 571卷
关键词：
Universal mixing rules; Cubic plus association; Associating compounds; Equation of state; VAPOR-LIQUID-EQUILIBRIUM; PENG-ROBINSON EQUATION; EXCESS GIBBS ENERGY; PARTIAL MOLAL VOLUMES; ETHYLENE-GLYCOL; BINARY-MIXTURES; MIXING RULES; THERMODYNAMIC PROPERTIES; REFRACTIVE-INDEXES; CUBIC EQUATIONS;
D O I：
10.1016/j.fluid.2023.113824
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
A new Group Contribution Equation of State is developed in this work to describe the thermodynamic properties of pure associating compounds and their mixtures. The new model, called as UMR-CPA, combines the UMR-PRU model that is used for the physical term along with Wertheim's perturbation theory for the association term. UMR-CPA is parametrized by regression on saturated pressures, densities and isobaric heat capacities, and it is compared with the SKR-CPA and a volume translated UMR-CPA EoS. The models are also applied for the prediction of isochoric heat capacity, speed of sound and Joule-Thompson coefficient of pure associated compounds. Overall, the UMR-CPA EoS provides the most accurate results. Moreover, UMR-CPA and SRK-CPA are applied over an extended database of densities, heat capacities and speeds of sound for binary mixtures. Both models yield satisfactory results with the UMR-CPA being slightly superior in heat capacities.
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页数：14
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