Molecular dynamics simulations of oil transport through inorganic nanopores in shale

Wang, Sen; Javadpour, Farzam; Feng, Qihong

doi:10.1016/j.fuel.2015.12.071

Cited by 332 publications

(209 citation statements)

References 89 publications

Supporting

Mentioning

191

Contrasting

Order By: Relevance

“…To avoid the influence of streaming velocity, only the velocity in the z direction is coupled for temperature calculation in our simulation. [38][39][40] In this step, the latter 45 ns following 5 ns of equilibration is simulated for data statistics to eliminate the noise of thermal velocity.…”

Section: B Nonequilibrium Molecular Dynamicsmentioning

confidence: 99%

“…Here, we mainly focus on the diffusion along the gas flow orientation (y direction) to reveal the flow characteristics of shale gas. Referring to previous literatures, the coefficient D y can be calculated from the equation 38,39 In above equation, P i (t) is a function whose value equals 1 if the particle remains in the region and 0 otherwise. This allows us to consider only the molecules that have not left their initial region for calculation.…”

Section: A the Static Properties Of Methane In Nanoporesmentioning

confidence: 99%

See 1 more Smart Citation

Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores

Chen

Fan

et al. 2017

AIP Advances

View full text Add to dashboard Cite

Understanding the flow characteristics of shale gas especially in nanopores is extremely important for the exploitation. Here, we perform molecular dynamics (MD) simulations to investigate the hydrodynamics of methane in nanometre-sized slit pores. Using equilibrium molecular dynamics (EMD), the static properties including density distribution and self-diffusion coefficient of the confined methane are firstly analyzed. For a 6 nm slit pore, it is found that methane molecules in the adsorbed layer diffuse more slowly than those in the bulk. Using nonequilibrium molecular dynamics (NEMD), the pressure-driven flow behavior of methane in nanopores is investigated. The results show that velocity profiles manifest an obvious dependence on the pore width and they translate from parabolic flow to plug flow when the width is decreased. In relatively large pores (6 – 10 nm), the parabolic flow can be described by the Navier-Stokes (NS) equation with appropriate boundary conditions because of its slip flow characteristic. Based on this equation, corresponding parameters such as viscosity and slip length are determined. Whereas, in small pores (∼ 2 nm), the velocity profile in the center exhibits a uniform tendency (plug flow) and that near the wall displays a linear increase due to the enhanced mechanism of surface diffusion. Furthermore, the profile is analyzed and fitted by a piecewise function. Under this condition, surface diffusion is found to be the root of this anomalous flow characteristic, which can be negligible in large pores. The essential tendency of our simulation results may be significant for revealing flow mechanisms at nanoscale and estimating the production accurately.

show abstract

Section: B Nonequilibrium Molecular Dynamicsmentioning

confidence: 99%

Section: A the Static Properties Of Methane In Nanoporesmentioning

confidence: 99%

Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores

Chen

Fan

et al. 2017

AIP Advances

View full text Add to dashboard Cite

show abstract

“…One explanation for the gas flow is the effects of Knudsen diffusion and gas slippage in shale systems [11,12]. While engineers and scientist were mesmerized by the higher than expected gas flow in shale system, they learned that liquid can also flow through such tight formations [13,30,31]. Similar to gas slippage, liquid molecules also slip on the pore inner walls.…”

Section: Introductionmentioning

confidence: 99%

Liquid slip flow in a network of shale noncircular nanopores

Afsharpoor

Javadpour

2016

Fuel

Self Cite

147

View full text Add to dashboard Cite

“…† In Fig. 4(a), the velocity proles with the parabolic shape 24,36,38 are symmetrical about the central axis of the nanochannel. The larger pressure gradients induce the greater axial velocities and sharper parabolic velocity curves.…”

Section: Resultsmentioning

confidence: 99%

Pressure-driven supercritical CO₂transport through a silica nanochannel

Liu

et al. 2018

RSC Adv.

View full text Add to dashboard Cite

A thorough understanding of supercritical CO 2 (scCO 2 ) transport through nanochannels is of prime significance for the effective exploitation of shale resources and the mitigation of greenhouse gas emission. In this work, we employed the non-equilibrium molecular dynamics simulations method to investigate the pressure-driven scCO 2 transport behavior through silica nanochannels with different external forces and pore sizes. The simulations reveal that the capability of scCO 2 diffusion enhances both in the bulk region and the surface adsorbed layer with the increasing of pressure gradient or nanochannel size, in addition, the slip length increases nonlinearly with the external acceleration or nanochannel width increases and finally reaches a maximum value. The negative slippage occurs at lower pressure gradient or within the narrower nanochannel. Overall, it is the combined effect of strong adsorption, surface diffusion and slippage that causes the nonlinear relation between flow rate and pressure gradient or nanochannel size. The present work would provide theoretical guidance for the scCO 2 enhanced shale oil/gas recovery, CO 2 storage, and mass transport in nanoporous materials.

show abstract

Molecular dynamics simulations of oil transport through inorganic nanopores in shale

Cited by 332 publications

References 89 publications

Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores

Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores

Liquid slip flow in a network of shale noncircular nanopores

Pressure-driven supercritical CO₂transport through a silica nanochannel

Contact Info

Product

Resources

About

Molecular dynamics simulations of oil transport through inorganic nanopores in shale

Cited by 332 publications

References 89 publications

Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores

Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores

Liquid slip flow in a network of shale noncircular nanopores

Pressure-driven supercritical CO2transport through a silica nanochannel

Contact Info

Product

Resources

About

Pressure-driven supercritical CO₂transport through a silica nanochannel