Crossover Peng-Robinson equation of state with introduction of a new expression for the crossover function

Feyzi, Farzaneh; Seydi, M.; Alavi, Farzad

doi:10.1016/j.fluid.2010.03.032

Cited by 13 publications

(12 citation statements)

References 25 publications

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“…Previously, several modifications have been suggested to make the crossover function go more rapidly towards unity either by multiplication of the reduced distance q by a rapidly growing function of temperature [27] or by choosing different functional form of Y (q) [28,29]. These modifications were used in connection with the Peng-Robinson or Patel-Teja EoS that lead to more accurate predictions of saturated liquid densities at low temperatures compared to the SRK EoS.…”

Section: Crossover Modelmentioning

confidence: 99%

A generalized Kiselev crossover approach applied to Soave–Redlich–Kwong equation of state

Janeček

Paricaud

Dicko

et al. 2015

Fluid Phase Equilibria

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Three different variants of the crossover Soave-Redlich-Kwong equation of state are applied to describe the equilibrium behaviour of 72 common fluids -27 hydrocarbons (including the first 10 n-alkanes), 36 halogenated refrigerants, 5 cryogenics (fluorine, oxygene, nitrogene, argon and carbon monoxide) and 4 other industrially important inorganic fluids (carbon dioxide, sulfur dioxide, nitrous oxide and sulfur hexafluoride). The model contains six compound dependent parameters; two of them (a 0 and b of the classical part) are adjusted to reproduce the critical temperature and the critical pressure. Within the first approach (model A), the remaining four parameters -the softness of dispersion interactions m and three parameters of the crossover part (G i , d 1 and v 1 ) -are optimized to reproduce the coexistence densities and the saturation pressure over the whole vapor-liquid region and also the pressure along the critical-and one supercritical isotherms. In the second model (model B), mutual relation between two of the crossover parameters is employed (v 1 = v 1 (G i )) and distersion softness m is expressed as a qudratic function of acentric factor ω. Using these two constrains, the crossover parameter G i (and also v 1 ) becomes correlated to rectlinear diameter r d or 1 critical compression factor Z c . It is also found, that the crossover parameter d 1 has a minor effect on the equilibrium properties. In the third model (model C), this parameter is omitted and the remaining parameters are estimated from knowledge of critical properties (a 0 and b), acentric factor (m) and rectlinear diameter (G i ). The overall quality of model C -which requires only the knowledge of the critical properties, acentric factor and rectlinear diameter -is worse compared to the two models with fitted parameters. However, it is superior to classical cubic equations of state as for the liquid coexistence densities and superior to equations optimized to reproduce the liquid densities (PCSAFT, CPA) as for the description in the critical region. The model C is applied to describe the equilibrium behaviour of two compounds not included in the parametrization, hexafluoropropene (HFO1216) and hexafluoropropene oxide (HFPO), with acceptable quality.

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Section: Crossover Modelmentioning

confidence: 99%

A generalized Kiselev crossover approach applied to Soave–Redlich–Kwong equation of state

Janeček

Paricaud

Dicko

et al. 2015

Fluid Phase Equilibria

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“…If Y(q) → 0 , when the system is at the critical point, the crossover function should approach zero, Y(q) → 0 , and Y(q) → 1 when the system is away from the critical point. The crossover function proposed by Feyzi et al [21] satisfies these requirements, and we use the same formulation in Equation (20).…”

Section: Crossover Peng-robinson Eosmentioning

confidence: 99%

“…The crossover PR EoS is incorporated into the LBM through Equation (22). For CO 2 , all parameters are taken from [21], while all other fluid parameters are taken from [20]. Furthermore, the physical critical parameters are derived from the NIST database [32].…”

Section: Crossover Peng-robinson Eosmentioning

confidence: 99%

“…In addition, most studies apply classical EoS to analyze the thermodynamic properties of the fluid in different ranges of temperature [9,[15][16][17]. Though classical cubic EoS predict well the fluid properties away from the critical region, they fail to accurately capture the fluid behavior in the near-critical region or at a supercritical state because of long-scale fluctuations in density that cover a wide range of temperatures [1,[18][19][20][21][22]. In this region, analytical solutions provided by classical EoS are no longer accurate.…”

Section: Introductionmentioning

confidence: 99%

“…In this region, analytical solutions provided by classical EoS are no longer accurate. As a remedy for this pitfall, a so-called "crossover" formulation of the EoS was proposed, incorporating the non-analytical scaling laws and predicting fluid properties in the critical region more accurately [1,18,21]. Any classical EoS can be re-formulated in a crossover fashion.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Equation of State’s Crossover Enhancement of Pseudopotential Lattice Boltzmann Modeling of CO2 Flow in Homogeneous Porous Media

Ashirbekov

Kabdenova

Monaco

et al. 2021

Fluids

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The original Shan-Chen’s pseudopotential Lattice Boltzmann Model (LBM) has continuously evolved during the past two decades. However, despite its capability to simulate multiphase flows, the model still faces challenges when applied to multicomponent-multiphase flows in complex geometries with a moderately high-density ratio. Furthermore, classical cubic equations of state usually incorporated into the model cannot accurately predict fluid thermodynamics in the near-critical region. This paper addresses these issues by incorporating a crossover Peng–Robinson equation of state into LBM and further improving the model to consider the density and the critical temperature differences between the CO2 and water during the injection of the CO2 in a water-saturated 2D homogeneous porous medium. The numerical model is first validated by analyzing the supercritical CO2 penetration into a single narrow channel initially filled with H2O, depicting the fundamental role of the driving pressure gradient to overcome the capillary resistance in near one and higher density ratios. Significant differences are observed by extending the model to the injection of CO2 into a 2D homogeneous porous medium when using a flat versus a curved inlet velocity profile.

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Lattice Boltzmann simulation of near/supercritical CO2 flow featuring a crossover formulation of the equation of state

2021

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Crossover Peng-Robinson equation of state with introduction of a new expression for the crossover function

Cited by 13 publications

References 25 publications

A generalized Kiselev crossover approach applied to Soave–Redlich–Kwong equation of state

A generalized Kiselev crossover approach applied to Soave–Redlich–Kwong equation of state

Equation of State’s Crossover Enhancement of Pseudopotential Lattice Boltzmann Modeling of CO2 Flow in Homogeneous Porous Media

Lattice Boltzmann simulation of near/supercritical CO2 flow featuring a crossover formulation of the equation of state

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