An extension of the Peng–Robinson equation of state for the correlation and prediction of high-pressure phase equilibrium in systems containing supercritical carbon dioxide and a salt

Sieder, Georg; Maurer, Gerd

doi:10.1016/j.fluid.2004.08.005

Cited by 13 publications

(29 citation statements)

References 92 publications

(93 reference statements)

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“…It should be also noted that curves presented in Fig. 6a for methanol, under atmospheric pressure, are in complete agreement with those proposed, in the same conditions, by Sieder and Maurer [12] by means also of a cubic PR EoS "extended" to electrolytes.…”

Section: 2-modeling Of Mixtures Containing Sodium Chloridesupporting

confidence: 89%

“…It should be pointed out that similar results are also previously obtained, for the same range of temperatures and pressures, with other literature models, such as: for cubic EoS, the PSRK-LIFAC [9], VTPR-LIFAC [10] and the extension of the PR EoS to electrolytes proposed by Sieder and Maurer [12]; and, for SAFT equations, the SAFT1-RPM (Ji. et al [30]) and SAFT-LJ (Sun and Dubessy [31]) models.…”

Section: 2-modeling Of Mixtures Containing Sodium Chloridesupporting

confidence: 85%

“…Indeed, the residual term E res g of the original model [14,15] was already consistent with the virial expressions considered in literature [8][9][10]12] for the description of the "Middle-Range" interactions between solvents and ions. …”

Section: 1-phase Equilibria Calculation With Mixtures Containing Saltssupporting

confidence: 83%

“…The molar volume v * and the relative permittivity r ε * of the salt-free solvent mixture are expressed according to [12], as:…”

Section: 1-phase Equilibria Calculation With Mixtures Containing Saltsmentioning

confidence: 99%

“…Regarding models based on cubic EoS, most of them derive from two possible approaches, all of them assuming that the salt is not present in the vapor phase: the "homogeneous approach" (LIQUAC equation of Yan et al [8] or PSRK-LIFAC model of Li et al [9] and VTPR-LIFAC equation of Collinet and Gmehling [10]), where a classical EoS is associated with a specific expression of the excess Gibbs energy E EoS g taking ionic species into account. The second technique, initially proposed by Fürst and Renon [6], is an "intermediate approach" which consists: first, in estimating the compressibility factor Z (without taking account salts) and then, in introducing the previous additional "long range" and "middle range" interactions in the derived residual Helmholtz energy (Vu et al [11] or Sieder and Maurer [12]); we can only regret that "ionic" interactions are not considered for the estimation of the compressibility factor. Another approach proposed by Masoudi et al [13] with cubic EoS assumes that salts are present in all phases; even if this assumption allows much more classical "flash" calculations, it usually leads to hard convergence problems, mainly due to the problematic representation of the "unknown" critical parameters of ions.…”

Section: Introductionmentioning

confidence: 99%

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Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts

Neau

Nicolas

Avaullée

2018

Fluid Phase Equilibria

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. Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts. Fluid Phase Equilibria, Elsevier, 2018, 458, pp.194-210. 10 AbstractThe offshore exploitation of petroleum fluids in normal conditions of pressure and temperature of transport and in presence of salt water is concerned with the prevention of gas hydrate formation, generally thanks to continuous injection of inhibitors, or punctual injection of methanol in start-up and shut-down operations. Hence, models of interest should provide both, satisfactory phase equilibrium estimations of hydrocarbon and alcohol mixtures with water and reliable predictions of their behavior in presence of salts.In this work, the NRTL-PRA EoS is extended to the prediction of phase equilibria in mixtures containing strong electrolytes. The proposed model assumes that the a and b parameters of the cubic EoS only depend on the solvent mole fractions (salt-free), while the E EoS g excess Gibbs energy describes all the interactions between solvents and ions with only two contributions: the SMR term, specific of "Short and Middle Range" interactions between solvents and salts, and the LR relation proposed by Pitzer-Debye-Hückel, for the description of "Long Range" electrostatic interactions. The proposed electrolyte version of the NRTL-PRA model was successfully extended to the modeling of phase behavior of mixtures of light gases at high pressures (methane, carbon dioxide, nitrogen and hydrogen sulfide) and alcohols (methanol, ethanol and 1-propanol) with water and salts (mainly, ternary mixtures containing sodium chloride). As far as possible, results were compared with those provided, for the same systems, by other literature models (cubic Eos, SAFT and CPA equations).

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Section: 2-modeling Of Mixtures Containing Sodium Chloridesupporting

confidence: 89%

Section: 2-modeling Of Mixtures Containing Sodium Chloridesupporting

confidence: 85%

Section: 1-phase Equilibria Calculation With Mixtures Containing Saltssupporting

confidence: 83%

“…The molar volume v * and the relative permittivity r ε * of the salt-free solvent mixture are expressed according to [12], as:…”

Section: 1-phase Equilibria Calculation With Mixtures Containing Saltsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts

Neau

Nicolas

Avaullée

2018

Fluid Phase Equilibria

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Analytic Setup for Multicomponent High‐Pressure Phase Equilibria via Dual Online Gas Chromatography

2015

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A high-pressure analytic phase equilibria setup, capable of operation at 150°C and 30 MPa, was developed. The variable-volume view cell contains two heightadjustable samplers enabling simultaneous sampling from two phases. Concurrent analysis of both samples was performed with dual online gas chromatography (GC). The GC comprises two inlets, four columns, two switch valves, and three detectors, arranged in parallel pathways. Quantitative detector calibrations were used. The setup was validated by sampling from a one-phase ternary of known composition, and comparison with binary and ternary literature data. The setup produces accurate phase composition data for supercritical systems and is wellsuited to handle mixture constituents ranging from volatile gases to mid-length hydrocarbons.

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Extension of the electrolyte Trebble–Bishnoi EOS to mixed‐salt systems, and application to vapour liquid and solid (hydrate) vapour liquid equilibrium calculations

Clarke

2022

Can J Chem Eng

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An extension of the Peng–Robinson equation of state for the correlation and prediction of high-pressure phase equilibrium in systems containing supercritical carbon dioxide and a salt

Cited by 13 publications

References 92 publications

Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts

Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts

Analytic Setup for Multicomponent High‐Pressure Phase Equilibria via Dual Online Gas Chromatography

Extension of the electrolyte Trebble–Bishnoi EOS to mixed‐salt systems, and application to vapour liquid and solid (hydrate) vapour liquid equilibrium calculations

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