Methane storage in nanoporous material at supercritical temperature over a wide range of pressures

Wu, Keliu; Chen, Zhangxin; Li, Xiangfang; Dong, Xiaohu

doi:10.1038/srep33461

Cited by 79 publications

(62 citation statements)

References 105 publications

(138 reference statements)

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“…In practical working condition, shale gas is stored as bulk-like and adsorbed layers in different pores ranging from micropores (< 2.0 nm) to macropores (> 50.0 nm). [5][6][7][8] The multiple pore types from nano porosity to wellbore lead to multiscale gas flow mechanisms, which complicates and inhibits the exploitation of shale gas. [9][10][11] Hence, it is necessary to investigate these flow mechanisms thoroughly.…”

Section: Introductionmentioning

confidence: 99%

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

Chen

Fan

et al. 2017

AIP Advances

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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.

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Section: Introductionmentioning

confidence: 99%

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

Chen

Fan

et al. 2017

AIP Advances

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“…Selective adsorption was investigated on noble gas mixtures. The optimal CNS interlayer distances for pure and mixed noble gases were 25 determined. Radial distribution function and simulation snapshots are used to supplement the adsorption data and suggest detailed distribution of each gas component in the CNS system.…”

Section: Resultsmentioning

confidence: 99%

“…Several reviews have summarized the discoveries of structural, thermal, mechanical and other properties [16][17][18][19][20][21]. Gas adsorption and transport properties of these materials are also widely investigated [22][23][24][25][26][27][28][29][30][31][32][33][34][35].…”

Section: Introductionmentioning

confidence: 99%

Molecular investigation of gas adsorption, separation, and transport on carbon nanoscrolls: A combined grand canonical Monte Carlo and molecular dynamics study

Sha

Zhang

Faller

2018

Carbon

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Carbon nanoscrolls (CNSs), with controllable interlayer distances, have been systematically studied with respect to noble gas adsorption, separation, and transport properties. Grand canonical Monte Carlo simulations were performed on pure noble gases and noble gas mixtures interacting with CNSs at different temperatures. There is separation of gases across a series of CNS interlayer distances at different pressures. The optimal interlayer distance for each noble gas was determined. Selective adsorption was characterized for noble gas mixtures, and the corresponding selectivity was explored. A molecular sieving effect was observed for a certain interlayer gap range, in which the energetically unfavorable smaller gas atoms were better stored in the CNS. In addition, molecular dynamics simulations were conducted to understand the transport properties of noble gases in carbon nanoscrolls in both 1 Corresponding author. 1 the cross-sectional and axial directions of the CNS. Gas molecules are found to be captured most strongly when the CNS has the optimal interlayer distance for adsorption.

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“…In the literature several mathematical models are proposed to estimate Z , including the Van der Waals equation (Van Der Waals & Rowlinson, ), the Redlich‐Kwong equation (Redlich & Kwong, ), the Soave‐Redlich‐Kwong equation (Soave, ), and the Peng‐Robinson equation (Peng & Robinson, ). Most recently, improved Van der Waals equation (Travalloni et al, ), Peng‐Robinson equation (Luo et al, ), and Redlich‐Kwong equation (Wu, Chen, et al, ) are also introduced to model fluid phase behavior at the nanoscale considering confinement and adsorption phenomenon, especially when the characteristic length scale is smaller than 10 nm (Salahshoor et al, ; Jin & Firoozabadi, ). In this study, the Peng‐Robinson equation is used for predicting the properties of hydrocarbons, in which EOS is given as

p = \frac{R T}{V_{m} - b} - \frac{a α}{V_{m}^{2} + 2 b V_{m} - b^{2}},

a \approx \frac{0.45724 R^{2} T_{c}^{2}}{P_{c}},

b \approx \frac{0.0778 R T_{c}}{P_{c}},

α = {false(1 + κ false(1 - T_{r}^{0.5} false) false)}^{2},

where T c and P c are the critical temperature and the critical pressure of the gas, respectively.…”

Section: Local Flow Modelmentioning

confidence: 99%

Analytical Solution of Gas Flow in Rough‐Walled Microfracture at In Situ Conditions

Wang

Tang

Jing

2019

Water Resources Research

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The development of the unconventional gas and CO2 sequestration is moving to deep formations. Because of the small flow pathways in the matrix, the Knudsen number might be high even though the gas is dense. In fact, due to the relatively high pressure at in situ conditions, gas flow in microfractures usually manifests a strong slip and nonideal gas effects. Therefore, understanding the coupling mechanism of these two on gas flow in rough‐walled microfractures is required to accurately model subsurface flow behavior. In this study, pressure‐driven gas flow in rough‐walled microfracture is analyzed in depth. Starting from the local governing equations for gas flow, a local flow model that includes gas slip and nonideal gas effects is derived by solving the Stokes equation with a first‐order slip boundary condition. Focusing at the representative elementary volume scale, the upscaled solutions to gas flow in a fracture with sinusoidal surface are derived to obtain the apparent permeability. The impact of nonideal gas effects, fracture roughness and aperture, and the tangential momentum accommodation coefficient on CH4 and CO2 flow is analyzed. The results show that fracture roughness introduces a high degree of heterogeneity in gas flow. At in situ conditions effects of gas slip, fracture roughness and tangential momentum accommodation coefficient on gas flow are reduced. The ideal gas law is capable of estimating CH4 flow to some extent. However, it fails to estimate CO2 flow in microfractures.

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Methane storage in nanoporous material at supercritical temperature over a wide range of pressures

Cited by 79 publications

References 105 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

Molecular investigation of gas adsorption, separation, and transport on carbon nanoscrolls: A combined grand canonical Monte Carlo and molecular dynamics study

Analytical Solution of Gas Flow in Rough‐Walled Microfracture at In Situ Conditions

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