Development and application of a three-parameter RK–PR equation of state

Cismondi, Martín; Mollerup, Jørgen

doi:10.1016/j.fluid.2005.03.020

Cited by 166 publications

(93 citation statements)

References 34 publications

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“…These behaviors, specially for the methane-binaries with heavy alkanes, could not be reasonably represented with classic twoparameter equations of state like SRK or PR, not even using both, repulsive and attractive, interaction parameters within quadratic mixing rules [1]. In turn, a very good representation of every system with data available was achieved recently [1] based on the cubic three-parameter RKPR EOS [2] and a new parameterization approach for alkanes.…”

Section: Introductionmentioning

confidence: 99%

Modelling the phase behavior of alkane mixtures in wide ranges of conditions: New parameterization and predictive correlations of binary interactions for the RKPR EOS

Cismondi

Doblas²,

Gomez³

et al. 2015

Fluid Phase Equilibria

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Section: Introductionmentioning

confidence: 99%

Modelling the phase behavior of alkane mixtures in wide ranges of conditions: New parameterization and predictive correlations of binary interactions for the RKPR EOS

Cismondi

Doblas²,

Gomez³

et al. 2015

Fluid Phase Equilibria

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“…The thermodynamic equations expressing state (p-V-T) for gases and liquids [9,10] are already well known, and the PR equation is widely adopted because it is in agreement with the experimental data for various kinds of liquids and their critical state. However, few researchers have applied the PR equation to estimate properties of the molten salt, especially the ternary system such as a 15%LiF-58%NaF-27%BeF 2 .…”

Section: Calculation Methods Of Thermodynamic Properties Of the Moltenmentioning

confidence: 99%

Estimation of thermodynamic properties of the ternary molten salt system, LiF-NaF-BeF2, by the modified Peng-Robinson equation

Zhang

Qiu

et al. 2007

Front. Energy Power Eng. China

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Estimation of thermodynamic properties of the ternary molten salt system, LiF-NaF-BeF 2 , by the modified Peng-Robinson equation Nomenclature p-pressure/Pa; T-temperature/K; V-molar volume/(m 3 · mol −1 ); R-gas constant/(mol · K); Z-compression factor; M-molar mass/(g · mol −1 ); x-mole fraction; a-Helmholtz free energy/(J · mol −1 ); s-entropy/(J · mol −1 · K −1 ); h-enthalpy/(J · mol −1 ); C p -heat capacity at constant pressure/ (J · mol −1 · K −1 ); g-Gibbs free energy/(J · mol −1 ); v-eccentric factor; r-density/The molten salt reactor (MSR), which is one of the generation IV reactors, can meet the demand of transmutation and breeding. The thermodynamic properties of the molten salt system like LiF-NaF-BeF 2 influence the design and construction of the fuel salt and coolant in the MSR for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF 2 , over the temperature range from 873.15 to 1 073.15 K at one atmosphere pressure, is described using a modified Peng-Robinson (PR) equation. The densities of the ternary system and its components are estimated by this equation directly, and compared with the experimental data. Based on the equation of state, the other thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are estimated by the residual function method and the fugacity coefficient method respectively. The densities calculated by PR equation are highly in agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by the two different methods are consistent with each other. It can be concluded that the modified PR equation can be applied to evaluate the density of the molten salt system, and it is recommended that it be used as the basis to estimate the enthalpy, entropy and heat capacity of the molten salt system.

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“…As an example, Fig. 2 shows that the PR-EoS as well as the SRK-EoS can only predict a limited number of alkanes from the homologue series within an acceptable error [22,23]. Generally, the density/compressibility factor prediction of the SRK-EoS is better for simple fluids like methane CH 4 and hydrogen H 2 , while the PR-EoS gives superior results for longer alkanes like n-hexane C 6 H 14 .…”

Section: Real-gas Modelingmentioning

confidence: 99%

Real-Gas Effects and Phase Separation in Underexpanded Jets at Engine-Relevant Conditions

Traxinger

Banholzer

Pfitzner

2018

2018 AIAA Aerospace Sciences Meeting

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A numerical framework implemented in the open-source tool OpenFOAM is presented in this work combining a hybrid, pressure-based solver with a vapor-liquid equilibrium model based on the cubic equation of state. This framework is used in the present work to investigate underexpanded jets at engine-relevant conditions where real-gas effects and mixture induced phase separation are probable to occur. A thorough validation and discussion of the applied vapor-liquid equilibrium model is conducted by means of general thermodynamic relations and measurement data available in the literature. Enginerelevant simulation cases for two different fuels were defined. Analyses of the flow field show that the used fuel has a first order effect on the occurrence of phase separation. In the case of phase separation two different effects could be revealed causing the single-phase instability, namely the strong expansion and the mixing of the fuel with the chamber gas. A comparison of single-phase and two-phase jets disclosed that the phase separation leads to a completely different penetration depth in contrast to single-phase injection and therefore commonly used analytical approaches fail to predict the penetration depth.

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Development and application of a three-parameter RK–PR equation of state

Cited by 166 publications

References 34 publications

Modelling the phase behavior of alkane mixtures in wide ranges of conditions: New parameterization and predictive correlations of binary interactions for the RKPR EOS

Modelling the phase behavior of alkane mixtures in wide ranges of conditions: New parameterization and predictive correlations of binary interactions for the RKPR EOS

Estimation of thermodynamic properties of the ternary molten salt system, LiF-NaF-BeF2, by the modified Peng-Robinson equation

Real-Gas Effects and Phase Separation in Underexpanded Jets at Engine-Relevant Conditions

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