A simple model for the prediction of mutual solubility in CO2-brine system at geological conditions

Sun, Xiaohui; Wang, Zhiyuan; Li, Hangyu; He, Haikang; Sun, Baojiang

doi:10.1016/j.desal.2021.114972

Cited by 20 publications

(22 citation statements)

References 103 publications

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“…Table S1 in the Supporting Information shows an overview of the experimental studies on the CO 2 –water mixtures that measured the equilibrium phase compositions of different phases in the range of 273.15–642.15 K and 0.07–1291.9 bar, including 1730 data points. Such experiments are normally conducted using either volumetric expansion, water trapping, gas chromatography, synthetic method, Raman spectroscopy, or calorimetric technique . Most of the collected data are compared with previous studies by the authors to check the reliability of their measurements.…”

Section: Phase Behavior Measurements and Modeling For Co2–water/brine...mentioning

confidence: 99%

A Review of Phase Behavior Mechanisms of CO₂ EOR and Storage in Subsurface Formations

Chen

Zhou

2022

Ind. Eng. Chem. Res.

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The emissions of CO2 have been recognized as the main cause of climate change. As an important strategy being used to reduce the CO2 concentration in the atmosphere, carbon capture, utilization and storage (CCUS) has attracted significant attention in recent years. Geological formations, including depleted oil and gas reservoirs and saline aquifers, are popular CO2 storage options. During the process of CO2 storage in subsurface formations, the interactions between CO2 and formation fluids must be considered as they could greatly affect the CO2 trapping mechanisms and CO2 storage capacity. In this paper, we give a brief review of the phase behavior mechanisms associated with CO2 storage in subsurface formations. Two different CO2-storage strategies are considered in this paper: CO2 storage in saline aquifers and CO2 storage in oil reservoirs. Multiphase equilibria, including two-phase, three-phase, and four-phase equilibria, can be observed during CO2 injection into underground formations. Both the experimental and modeling studies on the related phase behavior mechanisms are included in this Review. We also introduce some recently developed robust algorithms for the multiphase equilibria calculations, which could be essential for the design of the CO2 storage process and prediction of CO2 storage capacity.

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Section: Phase Behavior Measurements and Modeling For Co2–water/brine...mentioning

confidence: 99%

A Review of Phase Behavior Mechanisms of CO₂ EOR and Storage in Subsurface Formations

Chen

Zhou

2022

Ind. Eng. Chem. Res.

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“…An extensive amount of data for CO 2 solubility in H 2 O is available in the literature, and comprehensive compilation and analysis of these data sets have been reported by many. Some of these studies include Duan and Sun, Spycher et al, Ji et al, Yan and Chen, Yan et al, Springer et al, Mao et al, Zhao et al, and Sun et al Since our current work is based on the model developed by Yan and Chen, all model parameters for the CO 2 + H 2 O binary system have been taken from their work. The results of Yan and Chen’s model for the CO 2 + H 2 O binary system have been validated with extensive data sets. ,− …”

Section: Experimental Data and Regression Analysismentioning

confidence: 99%

“…A majority of the aforementioned models ,,,,,,,− use the Pitzer equation and its variants to estimate CO 2 solubility in aqueous salt solutions. A limitation of the Pitzer equation is that the model requires a large number of temperature dependent binary and ternary ion interaction parameters, and the extension to predict CO 2 solubility in mixed-salt solutions at different operating conditions becomes cumbersome. , Additionally, only a few models ,,,,,,,,, estimate the solubility of H 2 O in the CO 2 -rich phase, whereas most of the models only focus on estimating CO 2 solubility in the aqueous phase. Solubility predictions in both CO 2 -rich phase and H 2 O-rich phase are critical for accurately representing the VLE behavior.…”

Section: Introductionmentioning

confidence: 99%

Estimating CO₂ Solubility in Aqueous Na⁺–K⁺–Mg²⁺–Ca²⁺–Cl^––SO₄^2– Solutions with Electrolyte NRTL–PC-SAFT Model

2022

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A comprehensive thermodynamic model based on electrolyte nonrandom two-liquid (eNRTL) equation in conjunction with PC-SAFT equation-of-state has been developed for estimating CO 2 solubility in aqueous solutions of NaCl, KCl, MgCl 2 , CaCl 2 , Na 2 SO 4 , K 2 SO 4 , MgSO 4 and their mixtures. The eNRTL binary interaction parameters for CO 2 −electrolyte pairs are regressed using the experimental vapor−liquid equilibrium data for the CO 2 + H 2 O + salt ternary systems in the temperature range of 273.15 to 433.15 K, and pressure up to 71 MPa. The model gives an accurate representation of the phase behavior including the salting-out effect of different electrolytes for CO 2 solubility covering temperatures up to 473.15 K, pressures up to 120 MPa, and salt concentrations up to saturation. With the CO 2 −H 2 O interaction parameters set to zero, and the H 2 O−electrolyte, CO 2 −electrolyte and electrolyte−electrolyte pair interaction parameters identified, the model is capable of accurately estimating CO 2 solubility in aqueous brine solutions without regressing any additional interaction parameters.

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“…CO 2 -water/brine is one of the most important and commonly encountered systems [1][2][3] in CO 2 sequestration [4][5][6][7][8][9][10][11], CO 2 -enhanced oil recovery (EOR) [2,12,13], CO 2enhanced geothermal systems (EGS) [14,15], global CO 2 tracing [16][17][18][19], and so on. In these chemical-, petroleum-, and environment-related technological applications, accurate prediction of the phase-partitioning properties over a wide pressure-temperature-salt composition (P-T-x) range is essential for the understanding of the CO 2 flow and trapping mechanism in subsurface formations [7,11,20,21] and the potential rock-fluid chemical interactions [4,14].…”

Section: Introductionmentioning

confidence: 99%

Modelling of the Phase-Partitioning Behaviors for CO2-Brine System at Geological Conditions

Sun

Wang

et al. 2021

Lithosphere

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An improved phase-partitioning model is proposed for the prediction of the mutual solubility in the CO2-brine system containing Na+, K+, Ca2+, Mg2+, Cl-, and SO42-. The correlations are computationally efficient and reliable, and they are primarily designed for incorporation into a multiphase flow simulator for geology- and energy-related applications including CO2 sequestration, CO2-enhanced geothermal systems, and CO2-enhanced oil recovery. The model relies on the fugacity coefficient in the CO2-rich phase and the activity coefficient in the aqueous phase to estimate the phase-partitioning properties. In the model, (i) the fugacity coefficients are simulated by a modified Peng-Robinson equation of state which incorporates a new alpha function and binary interaction parameter (BIP) correlation; (ii) the activity coefficient is estimated by a unified equilibrium constant model and a modified Margules expression; and (iii) the simultaneous effects of salting-out on the compositions of the CO2-rich phase and the aqueous phase are corrected by a Pizter interaction model. Validation of the model calculations against literature experimental data and traditional models indicates that the proposed model is capable of predicting the phase-partitioning behaviors in the CO2-brine system with a higher accuracy at temperatures of up to 623.15 K and pressures of up to 350 MPa. Using the proposed model, the phase diagram of the CO2+H2O system is generated. An abrupt change in phase compositions is revealed during the transfer of the CO2-rich phase from vapor to liquid or supercritical. Furthermore, the preliminary simulation shows that the salting-out effect can considerably decrease the water content in the CO2-rich phase, which has not been well experimentally studied so far.

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A simple model for the prediction of mutual solubility in CO2-brine system at geological conditions

Cited by 20 publications

References 103 publications

A Review of Phase Behavior Mechanisms of CO₂ EOR and Storage in Subsurface Formations

A Review of Phase Behavior Mechanisms of CO₂ EOR and Storage in Subsurface Formations

Estimating CO₂ Solubility in Aqueous Na⁺–K⁺–Mg²⁺–Ca²⁺–Cl^––SO₄^2– Solutions with Electrolyte NRTL–PC-SAFT Model

Modelling of the Phase-Partitioning Behaviors for CO2-Brine System at Geological Conditions

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A simple model for the prediction of mutual solubility in CO2-brine system at geological conditions

Cited by 20 publications

References 103 publications

A Review of Phase Behavior Mechanisms of CO2 EOR and Storage in Subsurface Formations

A Review of Phase Behavior Mechanisms of CO2 EOR and Storage in Subsurface Formations

Estimating CO2 Solubility in Aqueous Na+–K+–Mg2+–Ca2+–Cl––SO42– Solutions with Electrolyte NRTL–PC-SAFT Model

Modelling of the Phase-Partitioning Behaviors for CO2-Brine System at Geological Conditions

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A Review of Phase Behavior Mechanisms of CO₂ EOR and Storage in Subsurface Formations

A Review of Phase Behavior Mechanisms of CO₂ EOR and Storage in Subsurface Formations

Estimating CO₂ Solubility in Aqueous Na⁺–K⁺–Mg²⁺–Ca²⁺–Cl^––SO₄^2– Solutions with Electrolyte NRTL–PC-SAFT Model