Modeling infinite dilution and Fickian diffusion coefficients of carbon dioxide in water

Mutoru, J. Wambui; Leahy-Dios, Alana; Firoozabadi, Abbas

doi:10.1002/aic.12361

Cited by 57 publications

(78 citation statements)

References 79 publications

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“…Moreover, the assumption that infinite-dilution CO 2 diffusivity will accurately predict the diffusivity of CO 2 in GCS reservoirs 3,4 has never been experimentally tested. To clarify the diffusion behavior of CO 2 under realistic reservoir conditions, and to pursue a research program on fluid and mineral reactions relevant to GCS, we have constructed a Raman microscope that is compatible with high-pressure, hightemperature capillaries and microfluidic cells that operates routinely up to 100 bar and 80°C with imaging capabilities at diffraction-limited spatial resolution (i.e., ∼300 nm).…”

Section: ■ Introductionmentioning

confidence: 99%

“…3,4 Traditionally, the pressure−temperature−volume (PVT) technique, 5 based on the pressure drop of the gas phase, provides a macroscopic measurement of the diffusivity of CO 2 in water under reservoir-like conditions. Despite the simplicity, it has been shown that PVT methods lack the ability to capture microscopic details of the process and are prone to error due to, for example, density-driven mixing in the system.…”

Section: ■ Introductionmentioning

confidence: 99%

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Diffusivity of Carbon Dioxide in Aqueous Solutions under Geologic Carbon Sequestration Conditions

et al. 2018

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Accurate assessment of the long-term security of geologic carbon sequestration requires knowledge of the mobility of carbon dioxide in brines under pressure and temperature conditions that prevail in subsurface aquifers. Here, we report Raman spectroscopic measurements of the rate of CO 2 diffusion in water and brines as a function of pressure, salinity, and concentration of CO 2 . In pure water at 50 ± 2°C and 90 ± 2 bar, we find the diffusion coefficient, D, to be (3.08 ± 0.03) × 10 −9 m 2 /s, a value that is consistent with a recent microfluidic study but lower than earlier PVT measurements. Under reservoir conditions, salinity affects the mobility of CO 2 significantly and D decreased by 45% for a 4 M solution of NaCl. We find significant differences of diffusivity of CO 2 in brines (0−4 M NaCl), in both the absolute values and the trend compared to the Stokes−Einstein prediction under our experimental conditions. We observe that D decreases significantly at the high CO 2 concentrations expected in subsurface aquifers (∼15% reduction at 0.55 mol/kg of CO 2 ) and provides an empirical correction to the commonly reported D values that assume a tracer concentration dependence on diffusivity.

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Section: ■ Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Diffusivity of Carbon Dioxide in Aqueous Solutions under Geologic Carbon Sequestration Conditions

et al. 2018

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“…We therefore assume that the corresponding low aqueous concentrations of CO 2 (< 0.5 mol/L) do not affect significantly the viscosity of the solution which is taken as constant. Experiments and simulations show that the diffusion coefficient of CO 2 does not depend on the pressure of CO 2 up to 100 bars, although it depends on temperature and salt concentration [15][16][17] . The solvent is treated as incompressible and we make the Boussinesq approximation 5 .…”

Section: Modelmentioning

confidence: 99%

Impact of pressure, salt concentration, and temperature on the convective dissolution of carbon dioxide in aqueous solutions

Loodts

Rongy

Wit

2014

Chaos: An Interdisciplinary Journal of Nonlinear Science

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The convective dissolution of carbon dioxide (CO 2 ) in salted water is theoretically studied to determine how parameters such as CO 2 pressure, salt concentration and temperature impact the short-time characteristics of the buoyancy-driven instability.On the basis of a parameter-free dimensionless model, we perform a linear stability analysis of the time-dependent concentration profiles of CO 2 diffusing into the aqueous solution. We explicit the procedure to transform the predicted dimensionless growth rate and wavelength of the convective pattern into dimensional ones for typical laboratory-scale experiments in conditions close to room temperature and atmospheric pressure. This allows to investigate the implicit influence of the experimental parameters on the characteristic length and time scales of the instability. We predict that increasing CO 2 pressure, or decreasing salt concentration or temperature destabilizes the system, leading to a faster dissolution of CO 2 into salted water.PACS numbers: 47.20.Bp, 47.56.+r a) Electronic mail: vloodts@ulb.ac.be 1 When carbon dioxide (CO 2 ) dissolves in an aqueous solution, a buoyancy-driven fingering instability can develop because of the formation of a denser layer of CO 2 -rich solution on top of the less dense water. By a theoretical analysis, we predict how the short-time characteristics of this instability depend on experimental control parameters. To do so, we use a linear stability analysis based on a parameter-free model along with empirical correlations to compute the characteristic time and length scales of the fingering instability. We find that the growth rate of the convective instability increases with increasing CO 2 pressure or decreasing salt concentration or temperature. These results allow to interpret experimental data 1,2 on the impact of salt concentration and gaseous CO 2 pressure on the convective dissolution of CO 2 . Another main result of our analysis is that temperature has only a slight effect for CO 2 pressures close to atmospheric pressure. This study therefore suggests that carefully controlling the temperature of the setup is not needed for reproducibility of experimental studies of convective dissolution of CO 2 in laboratory conditions.

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“…The performance of the proposed model was also compared against the Mutoru-Dios-Firoozabadi model (Mutoru et al 2011) which is capable of predicting diffusion coefficients for carbon dioxide and water mixtures at both low and high pressures. This model takes into account the temperature effect on the total dipole moment of water and the induced dipole moment on CO 2 to accurately calculate the diffusion coefficient of CO 2 in water.…”

Section: Cðl; Tþ ¼ 0 ð3þmentioning

confidence: 99%

“…Their experiments were carried out in the temperature range of 5-35°C under fairly low pressures. Mutoru et al (2011), who conducted a literature survey on experimental measurements of diffusion coefficients of CO 2 -H 2 O mixtures, concluded that most of the experimental data on diffusion coefficients of CO 2 in water are limited to atmospheric pressure at the temperature range of 0-95°C and that only a few studies (Hayduk and Minhas 1982;Siddiqi and Lucas 1986;Nakanishi 1978) have been performed at pressures close to reservoir conditions. Salinity of water is another factor affecting the diffusivity of CO 2 in formation water.…”

Section: Introductionmentioning

confidence: 99%

Diffusion of carbon dioxide in formation water as a result of CO2 enhanced oil recovery and CO2 sequestration

Zarghami

Boukadi

Al-Wahaibi

2016

J Petrol Explor Prod Technol

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Flooding carbon dioxide into oil reservoirs is a promising technique for improving the pressure of a reservoir when it is depleted through primary and secondary production. In the context of global warming, it is a viable method for geological storage of CO 2 emissions. Once CO 2 is injected into a reservoir, it is forced to come into partial contact with formation water. To estimate the rate of CO 2 transfer and the total amount of CO 2 dissolved in the formation water, correct estimation of CO 2 diffusivity is required. In this study, the rate of CO 2 diffusion in water was experimentally determined in a PVT cell using the pressure depletion method at reservoir conditions (temperature: 50-75°C and pressure: 17,450 kPa). As expected, the rate of CO 2 diffusion in water increases with increasing temperatures. In addition, the impact of salinity of the water on the rate of CO 2 diffusion was investigated. A significant decrease in the rate of CO 2 diffusion was found with increasing salinity. Subsequently, a diffusion model describing the experiments was developed to predict the behavior of CO 2 diffusivity under simulated conditions. Unique correlations between CO 2 diffusion coefficients and water at different temperatures and salinities were obtained using the results of modeling.

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Modeling infinite dilution and Fickian diffusion coefficients of carbon dioxide in water

Cited by 57 publications

References 79 publications

Diffusivity of Carbon Dioxide in Aqueous Solutions under Geologic Carbon Sequestration Conditions

Diffusivity of Carbon Dioxide in Aqueous Solutions under Geologic Carbon Sequestration Conditions

Impact of pressure, salt concentration, and temperature on the convective dissolution of carbon dioxide in aqueous solutions

Diffusion of carbon dioxide in formation water as a result of CO2 enhanced oil recovery and CO2 sequestration

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