Molecular dynamics simulation on CO2 foam system with addition of SiO2 nanoparticles at various sodium dodecyl sulfate (SDS) concentrations and elevated temperatures for enhanced oil recovery (EOR) application

Azmi, Nik Salwani Md; Bakar, Noor Fitrah Abu; Mohd, Tengku Amran Tengku; Azizi, Azlinda

doi:10.1016/j.commatsci.2020.109937

Cited by 18 publications

(8 citation statements)

References 45 publications

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“…For nonbonded interactions, the short-range van der Waals (Lennard-Jones interaction) plus the long-range Coulombic interactions is applied. The Lennard-Jones potential and its parameters (ε ij and σ ij ) between different atom types are obtained using geometric combining rules as shown in eqs , , and . V lj = 4 ε [ ( σ r ) 12 − ( σ r ) 6 ] ε ij = ε ii ε jj σ ij = σ ii σ jj …”

Section: Methodsmentioning

confidence: 99%

Prediction of Viscosity of the Oil–Surfactant–Brine Microemulsion Phase Using Molecular Dynamics Simulations

Talapatra,

Nojabaei

2024

Energy Fuels

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Estimation of the microemulsion dynamic viscosity under reservoir conditions is important as it is directly connected to the oil recovery predictions and optimization design. The dynamic viscosity of the microemulsion phase depends on not only the phase behavior but also the microstructure of the phase. Here, we aim to fundamentally understand and quantify the relevance of microemulsion phase viscosity to the surfactant concentration, water salinity, pressure, and temperature by conducting numerical design of experiments using molecular dynamics (MD) simulations. We use the Einstein relation, which is a reformulated Green− Kubo formula, to calculate and track the change in viscosity with the above-mentioned conditions. After our model is validated by comparing the simulated results with the available experimental data, the viscosity peaks or percolation thresholds are investigated for a specific range of salinity and surfactant concentrations. The outcome of this research results in achieving optimized rheological properties of oil−brine interfacial systems for oil recovery operations.

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Section: Methodsmentioning

confidence: 99%

Prediction of Viscosity of the Oil–Surfactant–Brine Microemulsion Phase Using Molecular Dynamics Simulations

Talapatra,

Nojabaei

2024

Energy Fuels

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“…Reputable scholars, both domestic and international, have conducted extensive research on the development and application of carbon dioxide thickeners. The current understanding is that the most effective thickeners contain fluorine and silicon [ 21 , 22 ]. However, the cost of silicon-based thickeners is high, and the presence of toxic or harmful components such as fluorine and ether in some thickeners causes significant damage to water and soil and cannot meet the current requirements of green development [ 23 , 24 , 25 ].…”

Section: Introductionmentioning

confidence: 99%

Application of Polymeric CO2 Thickener Polymer-Viscosity-Enhance in Extraction of Low-Permeability Tight Sandstone

Fu,

Song,

Pan

et al. 2024

Polymers

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The conventional production technique employed for low-permeability tight reservoirs exhibits limited productivity. To solve the problem, an acetate-type supercritical carbon dioxide (scCO2) thickener, PVE, which contains a large number of microporous structures, was prepared using the atom transfer radical polymerization (ATRP) method. The product exhibited an ability to decrease the minimum miscibility pressure of scCO2 during a solubility test and demonstrated a favorable extraction efficiency in a low-permeability tight core displacement test. At 15 MPa and 70 °C, PVE-scCO2 at a concentration of 0.2% exhibits effective oil recovery rates of 5.61% for the 0.25 mD core and 2.65% for the 5 mD core. The result demonstrates that the incorporation of the thickener PVE can effectively mitigate gas channeling, further improve oil displacement efficiency, and inflict minimal damage to crude oil. The mechanism of thickening was analyzed through molecular simulation. The calculated trend of thickening exhibited excellent agreement with the experimental measurement rule. The simulation results demonstrate that the contact area between the polymer and CO2 increases in direct proportion to both the number of thickener molecules and the viscosity of the system. The study presents an effective strategy for mitigating gas channeling during scCO2 flooding and has a wide application prospect.

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“…The molecular dynamics simulation (MDS) application system is currently developing at an increasingly advanced rate [14,15]. It is capable of characterizing the forces that interact between various complex systems at the molecular level [16,17], such as the electrostatic, Coulomb, and van der Waals forces, among others, and providing a detailed description of the dynamics, energy, relative concentration, and other features of complex systems [18] The process of oil film adsorption and desorption on the surface of carbonate rocks can be simulated using molecular dynamics. From a molecular perspective, the impact of sodium sulfate concentrations on the surface wettability of carbonate rock was examined.…”

Section: Introductionmentioning

confidence: 99%

Effects of Different Concentrations of Sulfate Ions on Carbonate Crude Oil Desorption: Experimental Analysis and Molecular Simulation

Liu,

Qi,

et al. 2024

FDMP

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Low salinity water containing sulfate ions can significantly alter the surface wettability of carbonate rocks. Nevertheless, the impact of sulfate concentration on the desorption of oil film on the surface of carbonate rock is still unknown. This study examines the variations in the wettability of the surface of carbonate rocks in solutions containing varying amounts of sodium sulfate and pure water. The problem is addressed in the framework of molecular dynamics simulation (Material Studio software) and experiments. The experiment's findings demonstrate that sodium sulfate can increase the rate at which oil moisture is turned into water moisture. The final contact angle is smaller than that of pure water. The results of the simulations show that many water molecules travel down the water channel under the influence of several powerful forces, including the electrostatic force, the van der Waals force and hydrogen bond, crowding out the oil molecules on the calcite's surface and causing the oil film to separate. The relative concentration curve of water and oil molecules indicates that the separation rate of the oil film on the surface of calcite increases with the number of sulfate ions.

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Molecular dynamics simulation on CO2 foam system with addition of SiO2 nanoparticles at various sodium dodecyl sulfate (SDS) concentrations and elevated temperatures for enhanced oil recovery (EOR) application

Cited by 18 publications

References 45 publications

Prediction of Viscosity of the Oil–Surfactant–Brine Microemulsion Phase Using Molecular Dynamics Simulations

Prediction of Viscosity of the Oil–Surfactant–Brine Microemulsion Phase Using Molecular Dynamics Simulations

Application of Polymeric CO2 Thickener Polymer-Viscosity-Enhance in Extraction of Low-Permeability Tight Sandstone

Effects of Different Concentrations of Sulfate Ions on Carbonate Crude Oil Desorption: Experimental Analysis and Molecular Simulation

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