A new equation of state for correlation and prediction of standard molal thermodynamic properties of aqueous species at high temperatures and pressures

Sedlbauer, Josef; O’Connell, John P.; Wood, Robert H.

doi:10.1016/s0009-2541(99)00133-3

Cited by 125 publications

(164 citation statements)

References 38 publications

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“…Curves: ρaq predicted (entirely) with the EOS-CG of Span and co-workers [32] at the experimental conditions studied in this work. Figure 6 shows the deviations of the measured CO2-saturated aqueous-phase densities, ρaq, from those calculated, ρcalc, using the empirical models of Duan et al [14] (for saturated phase composition), Sedlbauer et al [22] (for CO2 partial molar volume) and Wagner and Pruss [20] (for solvent molar volume). The deviations, which are all within the experimental uncertainty, indicate that this combination of models is capable of describing the saturated aqueous-phase densities of this wellstudied system as accurately as they can currently be measured.…”

Section: Aqueous Phase Of Co2 + H2omentioning

confidence: 99%

“…Sedlbauer et al [22] presented an empirical expression for predicting the partial molar volume of various solutes (including CO2) in pure water based on Fluctuation Solution Theory. In the case of nonelectrolyte solutes, such as CO2, the model was tested over the temperature range (303 to 725) K at pressures to 35 MPa.…”

Section: Existing Models For Predicting Saturated Phase Densitiesmentioning

confidence: 99%

“…Most recently, McBride-Wright et al [25; 26] reported measurements of the density of under-saturated aqueous CO2 + H2O mixtures using a vibrating-tube apparatus at pressures up to 100 MPa, over the temperature range (274 to 449) K, together with an empirical correlation for the partial molar volume of CO2 that was able to represent his density data to within ±0.04 %. Partial-molar volumes predicted using the correlations of Li et al [24] and McBride-Wright et al [25; 26] differed by up to 7 %, whereas partial molar volumes calculated using the correlation of Sedlbauer et al [22] had a maximum relative deviation of only 2.5 % from the model of McBride-Wright et al [25; 26].…”

Section: Existing Models For Predicting Saturated Phase Densitiesmentioning

confidence: 99%

“…. Deviations (ρaq -ρcalc) of the saturated aqueous-phase densities ρaq for the CO2 + H2O system from values ρcalc calculated at the same temperature and pressure using the models of Duan et al [14] (for saturated phase composition), Sedlbauer et al [22] (for CO2 partial molar volume) and Wagner and Pruss [20] (for solvent molar volume). (a) Symbols: this work , T = 293 K; , T = 298 K; , T = 308 K; , T = 323 K; , T = 343 K; , T = 373 K; , T = 398 K; , T = 423 K; , T = 448 K. Curves: ρaq predicted using the EOS of Spycher et al [16], [18] (for saturated phase composition) in place of the Duan et al [14] at the experimental conditions studied in this work.…”

Section: Aqueous Phase Of Co2 + H2omentioning

confidence: 99%

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Saturated phase densities of (CO 2 + H 2 O) at temperatures from (293 to 450) K and pressures up to 64 MPa

Efika

Hoballah

et al. 2016

The Journal of Chemical Thermodynamics

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An apparatus consisting of an equilibrium cell connected to two vibrating tube densimeters and two syringe pumps was used to measure the saturated phase densities of CO2 + H2O at temperatures from (293 to 450) K and pressures up to 64 MPa, with estimated average standard uncertainties of 1.5 kg·m -3 for the CO2-rich phase and 1.0 kg·m -3 for the aqueous phase. The densimeters were housed in the same thermostat as the equilibrium cell and were calibrated in-situ using pure water, CO2 and helium. Following mixing, samples of each saturated phase were displaced sequentially at constant pressure from the equilibrium cell into the vibrating tube densimeters connected to the top (CO2-rich phase) and bottom (aqueous phase) of the cell. The aqueous phase densities are predicted to within 3 kg·m -3 using empirical models for the phase compositions and partial molar volumes of each . The density of the CO2-rich phase was always within about 8 kg·m -3 of the density for pure CO2 at the same pressure and temperature; the differences were most positive near the critical density, and became negative at temperatures above about 373 K and pressures below about 10 MPa. For this phase, the multi-parameter EOS of Gernert and Span describes the measured densities to within 5 kg·m -3, whereas the computationally-efficient cubic EOS model of Spycher and Pruess [Transport in Porous Media 2010, 82, 173-196], commonly used in simulations of subsurface CO2 sequestration, deviates from the experimental data by a maximum of about 3 kg·m -3.

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Section: Aqueous Phase Of Co2 + H2omentioning

confidence: 99%

Section: Existing Models For Predicting Saturated Phase Densitiesmentioning

confidence: 99%

Section: Existing Models For Predicting Saturated Phase Densitiesmentioning

confidence: 99%

Section: Aqueous Phase Of Co2 + H2omentioning

confidence: 99%

See 2 more Smart Citations

Saturated phase densities of (CO 2 + H 2 O) at temperatures from (293 to 450) K and pressures up to 64 MPa

Efika

Hoballah

et al. 2016

The Journal of Chemical Thermodynamics

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“…In this work, we apply corrections to the bulk-liquid phase densities to account for CO2 solubility in water, using the solubility model reported recently by Hou et al [40], the equation of state of pure water [36], and the model of Sedlbauer et al [41] for the partial molar volumes of CO2 in aqueous solution. As detailed in tables 2 and 3 and ref.…”

Section: Density Correctionsmentioning

confidence: 99%

Interfacial tensions of the (CO 2 + N 2 + H 2 O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

Chow

Maitland

Trusler

2016

The Journal of Chemical Thermodynamics

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Interfacial tension measurements of the (CO2 + N2 + H2O) and (N2 + H2O) systems are reported at pressures of (2 to 40) MPa, and temperatures of (298.15 to 448.15) K. The pendant drop method was used in which it is necessary to know the density difference between the two phases. To permit calculation of this difference, the compositions of the coexisiting phases were first computed from a combination of the Peng-Robinson equation of state (applied to the non-aqueous phase) and the NRTL model (applied to the aqueous phase). Densities of the non-aqueous phase were computed from the GERG-2008 equation of state, while those of the aqueous phase were calculated knowing the partial molar volumes of the solutes. The expanded uncertainties at 95% confidence are 0.05 K for temperature, 0.07 MPa for pressure, 0.019·γ for interfacial tension in the binary (N2 + H2O) system; and 0.032γ for interfacial tension in the ternary (CO2 + N2 + H2O) system. The interfacial tensions in both systems were found to decrease with both increasing pressure and increasing temperature. An empirical correlation has been developed for the interfacial tension of the (N2 + H2O) system in the full range of conditions investigated, with an average absolute deviation of 0.20 mN·m -1 , and this is used to facilitate a comparison with literature values. Estimates of the interfacial tension for the (CO2 + N2 + H2O) ternary system, by means of empirical combining rules based on the coexisting phase compositions and the interfacial tensions of the binary sub-systems, (N2 + H2O) and (CO2 + H2O), were found to be somewhat inadequate at low temperatures, with an average absolute deviation of 1.9 mN·m -1 for all the conditions investigated. To enable this analysis, selected literature data for the interfacial tensions of the (CO2 + H2O) binary system have been re-analysed, allowing for improved estimates of the density difference between the two phases. The revised result on eleven isotherms were fitted with empirical models that generally represent the data to within 1 mN·m -1 .

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pVTx Properties of Hydrothermal Systems

Corti

Abdulagatov

2008

Hydrothermal Experimental Data

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A new equation of state for correlation and prediction of standard molal thermodynamic properties of aqueous species at high temperatures and pressures

Cited by 125 publications

References 38 publications

Saturated phase densities of (CO 2 + H 2 O) at temperatures from (293 to 450) K and pressures up to 64 MPa

Saturated phase densities of (CO 2 + H 2 O) at temperatures from (293 to 450) K and pressures up to 64 MPa

Interfacial tensions of the (CO 2 + N 2 + H 2 O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

pVTx Properties of Hydrothermal Systems

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