Effect of solvent on the adsorption behavior of asphaltene on silica surface: A molecular dynamic simulation study

Lü, Ning; Dong, Xiaohu; Chen, Zhangxin; Liu, Huiqing; Zheng, Wei; Zhang, Bo

doi:10.1016/j.petrol.2022.110212

Cited by 23 publications

(10 citation statements)

References 62 publications

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“…Its nonuniform multiple peaks indicated a tendency of cluster formation. 52,55 With the decrease of concentration from 0.28 to 0.14 to 0.07 M, the number of the density peak decreased from 4 to 2 to 1 at pH 9.5, and from 5 to 4 to 3 at pH 11. At the same time, the location of CO 3 2À was more and more concentrated and closer to the quartz surface with the decrease of concentration, since the range of ADPs and the distance between peak centers corresponding to the majority of CO 3 2À decreased.…”

Section: Resultsmentioning

confidence: 98%

Adsorption of CO₃²⁻/HCO₃⁻on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Feng

Xing

et al. 2023

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 98%

Adsorption of CO₃²⁻/HCO₃⁻on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Feng

Xing

et al. 2023

Phys. Chem. Chem. Phys.

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“…Based on the average SARA component model, the asphaltenes are the crucial components on the IFT . Thus, the improved Yen-Mullins asphaltene model is suitable for the adsorption at the oil–brine interface . The structures of different components are shown in Figure .…”

Section: Experimental Materials and Methodologymentioning

confidence: 99%

Insights into Molecular Dynamics and Oil Extraction Behavior of the Polymeric Surfactant in a Multilayered Heterogeneous Reservoir

Zheng,

Liu,

Tong

2024

ACS Omega

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Interlayer heterogeneity, an inevitable and complex challenge during water flooding, seriously constrains the spread of the sweep region and oil recovery enhancement in multilayered heterogeneous reservoirs. To overcome this challenge, a novel polymeric surfactant, having an excellent performance in the reduction of interfacial tension (IFT) and the increase of viscosity of displacing fluid, is applied for enlarging the sweep resonance and increasing the oil washing efficiency. Through the molecular dynamics (MD) simulation, the molecular distributing mechanisms of the polymeric surfactant at the oil−water interface are analyzed to provide the theoretical basis for explaining the microscopic mechanism of oil extraction. To directly reflect the microscopic behavior of oil extraction, multiple transparent sand-packed models are designed to investigate the flowing behavior of different fluids and the extracted mechanisms of the remaining oil in both pore and macroscales. The multilayered heterogeneous reservoirs consisting of high-, moderate-, and low-permeability layers are fabricated to represent a heterogeneous characteristic. The recognition from the visual experiment and MD simulation can study the performance control, the extracting performance of the remaining oil, and the expression of the displacing front from different perspectives. The results from MD simulation demonstrate that the polymeric surfactant can promote the disintegration of the remaining oil and enhance its mobility. The experimental results indicate that the sweep efficiency is restricted by viscous fingering and tongue advance. Through the analysis of mathematical models, the rising mobility ratio and the location of the displacing front have a strong positive relationship with viscous fingering and tongue advance, which can reasonably explain the plugging performance of the polymeric surfactant, greatly improving the sweeping effect of the whole reservoir. Moreover, the Marangoni effect generated by the IFT gradient can induce the transformation of interfacial energy to displacement kinetic energy by the emulsification of the oil−water interface so that the remaining oil in the blind-end pore can be effectively extracted. However, by comparing data from image quantification techniques and production dynamic performance, the sweep efficiency (484%) was significantly greater than that of oil recovery (300%), demonstrating that the expanded sweep effect still plays a dominant role in the extraction of remaining oil after polymeric surfactant flooding. This study provides a novel plugging and effective washing agent that is expected to be an excellent and comprehensive method for solving the problem of low oil recovery in multilayered heterogeneous reservoirs.

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“…Besides the experimental investigation, the theoretical calculation of molecular simulation (MS) can be utilized as an available method to allow direct observations of the interfacial phenomenon. With the rapid development of information technology, the MDS method has become a powerful tool to explore and reveal interaction mechanisms at the molecular scale in a wide range of conditions. , A series of studies have been reported on the interfacial investigation of asphaltene, including asphaltene precipitation in CO 2 flooding by Fang et al, the control of asphaltene deposition by chemical inhibitors in calcite pores by Ghamartale et al, the diffusion and distribution of asphaltene on a quartz surface by Wu et al, C5Pe adsorption configurations on silica surfaces by Ji et al, and calcite–organic molecule–water interaction mechanism by Chai et al Hence, MDS methods can serve as useful tools to provide microscopic findings to confirm the macroscopic experimental results.…”

Section: Introductionmentioning

confidence: 99%

Performance Investigation of Asphaltene Adsorption at a Carbonate Rock Surface: Spectroscopy Experiment and Molecular Simulation

Ma,

Huang,

Wan

et al. 2024

Langmuir

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Investigation of asphaltene adsorption at rock surfaces plays an important role in enhanced oil recovery (EOR) for the petroleum industry. In this work, the interaction performances of asphaltene adsorption at carbonate dolomite and calcite surfaces are investigated based on experimental and simulation insights. On the one hand, macroscopic interaction performances were investigated by spectroscopy experiments to obtain the Langmuir thermodynamic model and pseudo-second-order (PSO) kinetic model. The results indicated monolayer molecular asphaltene adsorption for both dolomite and calcite, while they showed 'slow adsorption−slow desorption' for dolomite but 'fast adsorption−fast desorption' for calcite. Meanwhile, dolomite showed a higher adsorption capacity with q m(dol 1) = 5.35 mg/g > q m(cal 1) = 1.28 mg/g and a stronger adsorption spontaneity with ΔG m(dol 1) θ = −7.76 kJ/mol < ΔG m(cal 1) θ = −4.76 kJ/mol. On the other hand, microscopic interaction performances were investigated for three asphaltene molecules by molecular dynamics simulation (MDS) with ∼8 Å distance-placing and 500 ps time-running. According to the results, dolomite showed higher system stability than calcite with a lower final energy of ΔE dol−cal = −58 kJ/mol, and archipelago asphaltene showed higher adsorption stability with the smallest equilibrium energy of E arch(dol) = −147 kJ/mol for albite and E arch(cal) = −89 kJ/mol for calcite. The model of molecular orientation and force dominance was proposed as the interaction mechanism for asphaltene adsorption, which "lie sideways" at low concentrations but "stands upright" at high concentrations. This work allows the performance investigation and mechanism illustration of asphaltene adsorption at rock surfaces, which can help gain a fundamental understanding of the EOR during reservoir exploitation.

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Effect of solvent on the adsorption behavior of asphaltene on silica surface: A molecular dynamic simulation study

Cited by 23 publications

References 62 publications

Adsorption of CO₃²⁻/HCO₃⁻on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Adsorption of CO₃²⁻/HCO₃⁻on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Insights into Molecular Dynamics and Oil Extraction Behavior of the Polymeric Surfactant in a Multilayered Heterogeneous Reservoir

Performance Investigation of Asphaltene Adsorption at a Carbonate Rock Surface: Spectroscopy Experiment and Molecular Simulation

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Effect of solvent on the adsorption behavior of asphaltene on silica surface: A molecular dynamic simulation study

Cited by 23 publications

References 62 publications

Adsorption of CO32−/HCO3−on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Adsorption of CO32−/HCO3−on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Insights into Molecular Dynamics and Oil Extraction Behavior of the Polymeric Surfactant in a Multilayered Heterogeneous Reservoir

Performance Investigation of Asphaltene Adsorption at a Carbonate Rock Surface: Spectroscopy Experiment and Molecular Simulation

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Adsorption of CO₃²⁻/HCO₃⁻on a quartz surface: cluster formation, pH effects, and mechanistic aspects

Adsorption of CO₃²⁻/HCO₃⁻on a quartz surface: cluster formation, pH effects, and mechanistic aspects