Interfacial tension and phase equilibria for binary systems containing (CH4-CO2)+(n-dodecane; n-butanol; water)

Villablanca-Ahues, Rafael; Nagl, Roland; Zeiner, Tim; Jaeger, Philip

doi:10.1016/j.fluid.2023.113783

Cited by 7 publications

(4 citation statements)

References 96 publications

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“…Ahues et al [45] have recently reported experimental IFT data for the three temperatures 298.15 K, 323.15 K, and 348.15 K. However, their data do not allow any firm conclusion as to whether they conform to the Eötwös rule. The temperature range is relatively restricted and the reported IFT at 323.15 K is not significantly different from that reported at the higher temperature 348.15 K, which does not seem convincing.…”

Section: Parametermentioning

confidence: 97%

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What is the Correct Interfacial Tension between Methane and Water at High-Pressure/High-Temperature Conditions?

Bjørkvik

2022

SSRN Journal

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Section: Parametermentioning

confidence: 97%

“…The data of Ren et al [43] have been used for reference also in more recent modelling works, e.g. Zhang et al [34], Niño-Amézquita and Enders [7], Pereira et al [11], Villablanca-Ahues et al [45]. However, with reference to Fig.…”

Section: Parametermentioning

confidence: 99%

What is the Correct Interfacial Tension between Methane and Water at High-Pressure/High-Temperature Conditions?

Bjørkvik

2022

SSRN Journal

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“…Conducting IFT measurements under UHS conditions which are high pressure and high temperature can be expensive and potentially dangerous . On the other hand, theoretical calculations, such as density functional theory (DFT) and density gradient theory (DGT), and molecular dynamics (MD) simulations − have been utilized as alternative approaches to investigate CO 2 -water/brine IFT over a wide range of temperature and pressure conditions. However, only a few studies explored H 2 -water/brine IFT , and (H 2 + CO 2 )-water/brine IFT calculations using these methods.…”

Section: Introductionmentioning

confidence: 99%

Machine Learning-Based Interfacial Tension Equations for (H₂ + CO₂)-Water/Brine Systems over a Wide Range of Temperature and Pressure

Xie,

Zhang,

Jin

2024

Langmuir

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Large-scale underground hydrogen storage (UHS) plays a vital role in energy transition. H2-brine interfacial tension (IFT) is a crucial parameter in structural trapping in underground geological locations and gas–water two-phase flow in subsurface porous media. On the other hand, cushion gas, such as CO2, is often co-injected with H2 to retain reservoir pressure. Therefore, it is imperative to accurately predict the (H2 + CO2)-water/brine IFT under UHS conditions. While there have been a number of experimental measurements on H2-water/brine and (H2 + CO2)-water/brine IFT, an accurate and efficient (H2 + CO2)-water/brine IFT model under UHS conditions is still lacking. In this work, we use molecular dynamics (MD) simulations to generate an extensive (H2 + CO2)-water/brine IFT databank (840 data points) over a wide range of temperature (from 298 to 373 K), pressure (from 50 to 400 bar), gas composition, and brine salinity (up to 3.15 mol/kg) for typical UHS conditions, which is used to develop an accurate and efficient machine learning (ML)-based IFT equation. Our ML-based IFT equation is validated by comparing to available experimental data and other IFT equations for various systems (H2-brine/water, CO2-brine/water, and (H2 + CO2)-brine/water), rendering generally good performance (with R 2 = 0.902 against 601 experimental data points). The developed ML-based IFT equation can be readily applied and implemented in reservoir simulations and other UHS applications.

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“…Previous studies had examined the impacts of CH 4 in the CO 2 stream upon the minimum miscibility pressure (MMP). They found that the presence of CH 4 would increase the MMP compared to that of CO 2 , thus negatively impacting the miscibility and EOR performance. − Compared with CH 4 , CO 2 has stronger solubility in oil and has a better effect on reducing the oil viscosity and swelling the oil volume . Some scholars have also found that a small amount of CH 4 can promote the oil swelling effect, , and the gas mixture has a more significant effect on improving the oil fluidity through experiments.…”

Section: Introductionmentioning

confidence: 99%

Miscibility Characteristics of CO₂–Oil in Tight Sandstone Reservoirs: Insights from Molecular Dynamics Simulations

Liu,

Wang,

Yang

et al. 2024

ACS Omega

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Identifying the microscopic mechanism of CO 2 −oil miscibility is significant for the CO 2 enhanced oil recovery (CO 2 − EOR) in tight sandstone reservoirs. In this work, the effects of oil composition, formation pressure, temperature, and methane content on the characteristics of the CO 2 −oil miscibility were systematically studied by molecular simulation methods. According to the change of oil−gas centroid displacement, the CO 2 −oil miscibility behavior was divided into four stages: rapid diffusion, CO 2 dissolution and oil swelling, competitive adsorption and oil film detachment, and complete miscibility or dynamic equilibrium stability. The results showed that light or medium component oil is more easily miscible with CO 2 under reservoir conditions. The changes in temperature and pressure will greatly influence the oil−gas miscibility. Increasing the temperature is conducive to reducing the adsorption energy between oil and quartz, thus improving the miscibility of CO 2 and heavy component oil. However, the static swelling effects of CO 2 alone cannot effectively displace the heavy component oil on quartz. The CO 2 diffusion coefficient perpendicular to the quartz surface does not increase continuously with the temperature increase due to the adsorption of oil and quartz. There is a critical temperature range of 320−340 K, which makes the miscibility effects the best. A small amount of CH 4 can enhance the interaction energy between the two phases of oil and gas, thus promoting the miscibility of CO 2 and oil at the interface. However, it is not conducive to oil film detachment, with the CH 4 content increasing.

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Interfacial tension and phase equilibria for binary systems containing (CH4-CO2)+(n-dodecane; n-butanol; water)

Cited by 7 publications

References 96 publications

What is the Correct Interfacial Tension between Methane and Water at High-Pressure/High-Temperature Conditions?

What is the Correct Interfacial Tension between Methane and Water at High-Pressure/High-Temperature Conditions?

Machine Learning-Based Interfacial Tension Equations for (H₂ + CO₂)-Water/Brine Systems over a Wide Range of Temperature and Pressure

Miscibility Characteristics of CO₂–Oil in Tight Sandstone Reservoirs: Insights from Molecular Dynamics Simulations

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Interfacial tension and phase equilibria for binary systems containing (CH4-CO2)+(n-dodecane; n-butanol; water)

Cited by 7 publications

References 96 publications

What is the Correct Interfacial Tension between Methane and Water at High-Pressure/High-Temperature Conditions?

What is the Correct Interfacial Tension between Methane and Water at High-Pressure/High-Temperature Conditions?

Machine Learning-Based Interfacial Tension Equations for (H2 + CO2)-Water/Brine Systems over a Wide Range of Temperature and Pressure

Miscibility Characteristics of CO2–Oil in Tight Sandstone Reservoirs: Insights from Molecular Dynamics Simulations

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Product

Resources

About

Machine Learning-Based Interfacial Tension Equations for (H₂ + CO₂)-Water/Brine Systems over a Wide Range of Temperature and Pressure

Miscibility Characteristics of CO₂–Oil in Tight Sandstone Reservoirs: Insights from Molecular Dynamics Simulations