Measurement and modeling of the phase behavior of the (carbon dioxide+water) mixture at temperatures from 298.15K to 448.15K

Hou, Shu-Xin; Maitland, Geoffrey C.; Trusler, J. P. Martin

doi:10.1016/j.supflu.2012.11.011

Cited by 167 publications

(147 citation statements)

References 44 publications

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“…The higher CO2 pressure in this study could contribute to the rise of reaction rate due to the decrease of pH; however, this impact is estimated to be small since the pH only decreases by about 0.03 units between (5 and 6) MPa at T = 373 K according to the model of Peng et.al [55]. Additionally, the increase of dissolved CO2 cannot account for the 30% increase of dissolution rate since CO2 solubility only changed by about 10% from 0.47 mol·kg -1 to 0.52 mol·kg -1 according to the model proposed by Hou et al [57]. The explanation for the higher reaction rate found in this study is most likely due to the elimination of mass transfer resistance [12].…”

Section: Calcite Dissolution Rate In the (Co2 + H2o) Systemmentioning

confidence: 97%

“…Hence, in our analysis, the activity of H2CO3 * (αH 2 CO 3 *) was approximated by the activity of dissolved CO2 (αCO 2 ), which was obtained from the correlation proposed by Hou et al [57]. Additionally, since k3 is typically on the order of 10 -7 mol·m -2 ·s -1 [15,24,58], reaction (3) was omitted.…”

Section: Impact Of Co2 Pressure On Calcite Dissolution Ratementioning

confidence: 99%

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Kinetics of calcite dissolution in CO2-saturated water at temperatures between (323 and 373) K and pressures up to 13.8 MPa

et al. 2015

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We report measurements of the calcite dissolution rate in CO2-saturated water at pressures ranging from (6.0 to 13.8) MPa and temperatures from (323 to 373) K. The rate of calcite dissolution in HCl(aq) at temperatures from (298 to 353) K was also measured at ambient pressure with pH between 2.0 and 3.3. A specially-designed batch reactor system, implementing a rotating disc technique, was used to obtain the dissolution rate at the solid/liquid interface of a single crystal, free of mass transfer effects. We used Vertical Scanning Interferometry to examine the texture of the calcite surface produced by the experiment and the results suggested that at far-from-equilibrium conditions, the measured calcite dissolution rate was independent of the initial defect density due to the development of a dynamic dissolution pattern which became steady-state shortly after the onset of dissolution. The results of this study indicate that the calcite dissolution rate under surface-reactioncontrolled conditions increases with increase of temperature from (323 to 373) K and CO2 partial pressure from (6.0 to 13.8) MPa. Fitting the conventional first order transition state kinetic model to the observed rate suggested that, although sufficient to describe calcite dissolution in CO2-free HCl(aq), this model clearly underestimate the calcite dissolution rate in the (CO2 + H2O) system over the range of conditions studied. A kinetic model incorporating both pH and the activity of CO2(aq) has been developed to represent the dissolution rates found in this study. We report correlations for the corresponding reaction rate coefficients based on the Arrhenius equation and compare the apparent activation energies with values from the literature. The results of this study should facilitate more rigorous modelling of mineral dissolution in deep saline aquifers used for CO2 storage.2

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Section: Calcite Dissolution Rate In the (Co2 + H2o) Systemmentioning

confidence: 97%

Section: Impact Of Co2 Pressure On Calcite Dissolution Ratementioning

confidence: 99%

Kinetics of calcite dissolution in CO2-saturated water at temperatures between (323 and 373) K and pressures up to 13.8 MPa

et al. 2015

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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%

“…As detailed in tables 2 and 3 and ref. [40] [42], with average absolute deviations of 2 %. At higher temperatures, there are noticeable differences between the two models but these have negligible effects on the calculated liquid density.…”

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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“…In this model, the water content of the CO2-rich phase is simply calculated by applying Raoult's law to the water activity calculated for the brine. Recently, however, Hou et al [15] measured new vapour-liquid equilibrium (VLE) data for the CO2 + H2O system over the temperature range (298 to 448) K at pressures to 18 MPa, and used them to test predictions of the Duan et al [14] correlation. Those data were represented well at T ≤ 423 K but the correlation of Duan et al [14] was found to over-predict the CO2 solubility at T = 448 K by about 25 %, which is at least three times larger than its claimed uncertainty.…”

Section: Existing Models For Predicting Saturated Phase Densitiesmentioning

confidence: 99%

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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Measurement and modeling of the phase behavior of the (carbon dioxide+water) mixture at temperatures from 298.15K to 448.15K

Cited by 167 publications

References 44 publications

Kinetics of calcite dissolution in CO2-saturated water at temperatures between (323 and 373) K and pressures up to 13.8 MPa

Kinetics of calcite dissolution in CO2-saturated water at temperatures between (323 and 373) K and pressures up to 13.8 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

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

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