scholarly journals Calculation of thermodynamic properties of mixtures in two-phase equilibrium

2021 ◽  
Vol 2039 (1) ◽  
pp. 012016
Author(s):  
Taiming Luo ◽  
A Yu Chirkov

Abstract Thermodynamic properties of mixtures in vapor-liquid equilibrium (VLE) were studied. Thermodynamic properties of the methane-ethane mixtures in VLE were calculated with highly accurate Helmholtz free energy equation of state GERG-2008, simplified GERG-2008 and common cubic PR equation of state (EOS). Results show that GERG-2008 has high accuracy in VLE calculations. However, simplified GERG-2008 and PR-EOS both work unsatisfactorily in VLE calculations.

Author(s):  
T. Luo ◽  
A.Yu. Chirkov

Thermodynamic properties of multicomponent mixtures in phase equilibrium were studied. The tangent plane criterion was used for stability analysis, and the Gibbs energy minimization was employed for phase equilibrium calculation when the successive substitution didn't converge. Thermodynamic properties of a 12-component natural gas mixture in vapor-liquid equilibrium were calculated with highly accurate Helmholtz free energy equation of state GERG--2008, simplified GERG--2008 and common cubic Peng --- Robinson (PR) equation of state. Results show that in vapor-liquid equilibrium, GERG--2008 has high accuracy and works better than simplified GERG--2008 and PR-equation of state. Simplified GERG--2008 and PR-equation of state both work unsatisfactorily in vapor-liquid equilibrium calculation, especially near the saturation zone. The deviation function in GERG--2008 can significantly affect the accuracy of GERG--2008 when calculating thermodynamic properties of mixtures in vapor-liquid equilibrium


2011 ◽  
Vol 19 (02) ◽  
pp. 93-97 ◽  
Author(s):  
RYO AKASAKA

Vapor–liquid equilibrium (VLE) have been successfully modeled for the binary mixtures of difluoromethane (HFC-32) + isobutane and difluoromethane + trans-1,3,3,3-tetrafluoropropene (HFO-1234ze(E)). These mixtures are considered as possible replacements for conventional refrigerants far from negligible global warming potential (GWP). A multifluid approach explicit in the Helmholtz free energy forms the basis of the model. The independent variables are the temperature, density, and composition. Accurate published equations of state for pure HFC-32, isobutane, and HFO-1234ze(E) are incorporated to calculate the Helmholtz free energy of each component. Typical uncertainties of bubble- and dew-point pressures calculated using the model are within 2%. Although adjustable parameters of the model are determined only from experimental VLE data, it is highly probable that the model reasonably predicts other thermodynamic properties such as enthalpy and heat capacities. Therefore, the model allows practical design and simulation of refrigeration systems using the mixtures as a working fluid.


2019 ◽  
Author(s):  
Gabriel Silva ◽  
Charlles Abreu ◽  
Frederico W. Tavares

Calculation of thermodynamic properties such as vapor-liquid phase behavior with equations of state is largely and successfully employed in chemical engineering applications.<br>However, in the proximities of the critical point, the different density-fluctuation scales inherent to critical phenomena introduce significant changes in these thermodynamic properties, with which the classical equations of state are not prepared to deal.<br>Aiming at correcting this failure, we apply a renormalization-group methodology to the CPA equation of state in order to improve the thermodynamic description in the vicinity of critical points.<br>We use this approach to compute vapor-liquid equilibrium of pure components and binary mixtures, as well as derivative properties such as speed of sound and heat capacity.<br>Our results show that this methodology is able to provide an equation of state with the correct non-classical behavior, thus bringing it in consonance with experimental observation of vapor-liquid equilibrium and derivative properties in near-critical conditions.


2021 ◽  
Vol 50 (4) ◽  
pp. 043102
Author(s):  
Changzhao Pan ◽  
Haiyang Zhang ◽  
Gérard Rouillé ◽  
Bo Gao ◽  
Laurent Pitre

1981 ◽  
Vol 21 (06) ◽  
pp. 687-698 ◽  
Author(s):  
L.X. Nghiem ◽  
D.K. Fong ◽  
K. Aziz

Abstract This paper describes an implicit-pressureexplicit-composition and explicit-compositionalmodel. The model uses an equation of state(Peng-Robinson)for phase equilibrium and densitycalculations. Interfacial tension effects areconsidered also. The formulation of the pressureequation yields a symmetric and diagonally dominantmatrix that allows the use of the iterative conjugategradiate method for large systems. Simulation oflaboratory CO2 displacements shows good agreementbetween calculated and experimental results. Theinfluence of interfacial tension is investigated.Physically reasonable results also have beenobtained for hypothetical areal and cross-sectional problems. Introduction The design of high-pressure gas, enriched-gas, orCO2, injection schemes requires an accurate predictionof the vapor-liquid equilibrium between the oil-in-placeand the injected fluid. In recent years, vapor-liquid equilibrium calculations have been enhanced by theintroduction of many two-constant equations of statethat can be applied to both the vapor and liquid phases.The application of these equations of state to petroleum reservoir fluids was made possible by the ability toevaluate the parameters of these equations from propertiesof the heavy fraction-i.e., density, average boilingpoint, and molecular weight-which can be measuredeasily.Two compositional models that utilize an equation ofstate for phase equilibrium properties calculation aredescribed by Fussell and Fussell and Coats. Whenboth gas and oil are present in every grid block, the formulation of Fussell and Fussell requires thesimultaneous solution of nb (v+1) nonlinear equations, where nb, is the number of grid blocks and v is thenumber of components in the hydrocarbon system. Theexplicit treatment of the transmissibilities limits thesize of the allowable time step. On the other land, Coatsproposed a fully implicit equation-of-state compositionalmodel. His formulation requires the simultaneous solution of nb (2v+4) equations. Although the stability ofCoat's model is better than that of Fussell and Fussell'smodel, the computational cost of Coat's implicit modelmay become prohibitive for systems containing a largenumber of grid blocks and components.This paper presents an implicit-pressure explicit-composition and saturation equation of statecompositional model that is a variation of that proposedby Kazemi et al. The formulation of the pressure equationyields a symmetric and diagonally dominant matrix that allows the use of the iterative conjugate gradientmethod for large systems. The diagonal dominance isalso a desirable feature for the numerical stability ofdirect elimination methods.A new model for relative permeabilities that isdependent on interfacial tension is proposed and thesensitivity of the recovery to interfacial tension isdiscussed.A well model that allows the simulation of constantvolume, constant injection/production wells and multiblockwell completions is provided.The Peng-Robinson equation of state is used in allexamples, although the solution method is general andapplicable for any other equation of state. SPEJ P. 687^


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