Interfacial CO<sub>2</sub>-mediated nanoscale oil transport: from impediment to enhancement

Moh, Do Yoon; Fang, Chao; Yin, Xiaolong; Qiao, Rui

doi:10.1039/d0cp03930f

Cited by 16 publications

(4 citation statements)

References 32 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Due to the strong solid–fluid friction and higher local fluid viscosity, they move relatively slowly and nearly synchronically as is observed by the relative flattening of velocity profiles. These findings are consistent with a previous MD study of Moh et al on the decane transport through slit calcite pores. In addition, due to the hydrophilic nature of the silica surface, , the interlayer slippage length, i.e., the velocity jump, is small, and its magnitude decreases with the surface charge density becoming more negative.…”

Section: Resultsmentioning

confidence: 99%

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Chen

Jivkov

Sedighi

2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Thermo-osmosis refers to fluid migration due to the temperature gradient. The mechanistic understanding of thermo-osmosis in charged nano-porous media is still incomplete, while it is important for several environmental and energy applications, such as low-grade waste heat recovery, wastewater recovery, fuel cells, and nuclear waste storage. This paper presents results from a series of molecular dynamics simulations of thermo-osmosis in charged silica nanochannels that advance the understanding of the phenomenon. Simulations with pure water and water with dissolved NaCl are considered. First, the effect of surface charge on the sign and magnitude of the thermo-osmotic coefficient is quantified. This effect was found to be mainly linked to the structural modifications of an aqueous electrical double layer (EDL) caused by the nanoconfinement and surface charges. In addition, the results illustrate that the surface charges reduce the self-diffusivity and thermo-osmosis of interfacial liquid. The thermo-osmosis was found to change direction when the surface charge density exceeds −0.03C · m–2. It was found that the thermo-osmotic flow and self-diffusivity increase with the concentration of NaCl. The fluxes of solvent and solute are decoupled by considering the Ludwig–Soret effect of NaCl ions to identify the main mechanisms controlling the behavior. In addition to the advance in microscopic quantification and mechanistic understanding of thermo-osmosis, the work provides approaches to investigate a broader category of coupled heat and mass transfer problems in nanoscale space.

show abstract

Section: Resultsmentioning

confidence: 99%

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Chen

Jivkov

Sedighi

2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

show abstract

“…The bond lengths were constrained by the LINCS algorithm . The bulk density (density in the middle of the slit) of the fluid was calculated to identify the bulk phase pressure ,− according to the National Institute of Standards and Technology (NIST) database; details are given in the Supporting Information (SI).…”

Section: Model and Methodologymentioning

confidence: 99%

Adsorption Behaviors of Different Components of Shale Oil in Quartz Slits Studied by Molecular Simulation

Xue

Cheng

et al. 2022

ACS Omega

View full text Add to dashboard Cite

Understanding the adsorption state and molecular behavior of the diverse components of shale oil in shale slits is of critical importance for exploring novel enhanced shale oil recovery techniques, but it is hard to be achieved by experimental measurements. In this paper, molecular dynamics (MD) simulations are performed to quantitatively describe the microbehavior of shale oil mixtures containing different kinds of hydrocarbon components, including asphaltene, in quartz slits. The spatial distributions of all the presenting components are given, the interaction energy between the components and quartz is analyzed, and the diffusion coefficients of all the components are calculated. It was found that asphaltene molecules play a vitally important role in restricting the detachment and diffusion movement of all hydrocarbon components, which is actually a key problem limiting the recovery efficiency of shale oil. The effects of temperature, slit aperture, and the appearance of CO2 on the adsorption behavior of the different shale oil components are examined; the results suggest that the light and medium components are the fractions with the most potential in thermal exploitation, while injection of CO2 is beneficial for the extraction of all the components, especially the medium components. This work gives insights into the effect of asphaltene on shale oil recovery in quartz slits and might provide guidance on the utilization of thermal and CO2-enhanced enhanced oil recovery (EOR) techniques in shale oil production.

show abstract

“…Therefore, surface-to-pore volume ratios are large, and a significant fraction of fluid molecules in shales are close to pore walls. It follows that confinement and fluid–wall interactions greatly affect the thermodynamics and transport behavior of fluids. − Modeling these effects using continuum theories alone can be challenging. First, to develop tractable theories/models for these effects, one has to make many assumptions and approximations.…”

Section: Primer Of Shale Gas and MDmentioning

confidence: 99%

Review on Pore-Scale Physics of Shale Gas Recovery Dynamics: Insights from Molecular Dynamics Simulations

et al. 2022

Self Cite

View full text Add to dashboard Cite

Reliable prediction of gas recovery from shale formations is essential for achieving the full potential of shale gas. A distinguishing feature of shales is that nanoscale pores dominate their porosity. Hence, confinement and fluid−wall interactions modulate shale gas storage, transport, and recovery, which are neglected in conventional gas recovery models. Because these nanoscale effects can be simulated using molecular dynamics (MD), related works have proliferated. Here, we review MD modeling of shale gas recovery at the pore scale. The design and simulation protocols of MD systems for studying gas recovery are surveyed first. Then, the gas recovery in three scenarios, i.e., recovery of single-component gas, recovery of multicomponent gas, and gas recovery involving multiphase flows, are reviewed. In particular, works exploring and elucidating new pore-scale phenomena and guiding and validating new pore-scale continuum models are highlighted. Finally, we recommend best practices in MD shale gas studies and suggest several research directions.

show abstract

Interfacial CO₂-mediated nanoscale oil transport: from impediment to enhancement

Abstract: CO2 adsorption regulates decane transport in inorganic nanopores by modulating interlayer mixing of interfacial fluids.

Cited by 16 publications

References 32 publications

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Adsorption Behaviors of Different Components of Shale Oil in Quartz Slits Studied by Molecular Simulation

Review on Pore-Scale Physics of Shale Gas Recovery Dynamics: Insights from Molecular Dynamics Simulations

Contact Info

Product

Resources

About

Interfacial CO2-mediated nanoscale oil transport: from impediment to enhancement

Abstract: CO2 adsorption regulates decane transport in inorganic nanopores by modulating interlayer mixing of interfacial fluids.

Cited by 16 publications

References 32 publications

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Adsorption Behaviors of Different Components of Shale Oil in Quartz Slits Studied by Molecular Simulation

Review on Pore-Scale Physics of Shale Gas Recovery Dynamics: Insights from Molecular Dynamics Simulations

Contact Info

Product

Resources

About

Interfacial CO₂-mediated nanoscale oil transport: from impediment to enhancement