Transport properties and structure of dense methane fluid in the rough nano-channels using non-equilibrium multiscale molecular dynamics simulation

Jiang, Chuntao; Ouyang, Jie; Wang, Lihua; Liu, Qingsheng; Wang, Xiaodong

doi:10.1016/j.ijheatmasstransfer.2017.03.023

Cited by 31 publications

(9 citation statements)

References 39 publications

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“…Wang reported that the Klinkenberg effect failed to characterize methane transport through calcite nanoslits and the molecules traveled even slower than the prediction of Hagen–Poiseuille equation. Jiang demonstrated significant variations of atom number density, transport, and structural properties of methane nanofluidics near the surfaces considering Poiseuille flow of methane in the rough silicon nanochannel. He reported that neglecting the effect of adsorption on methane transport resulted in breakdown of the Knudsen diffusion model in clay nanopores.…”

Section: Introductionmentioning

confidence: 99%

“…Jiang 24 demonstrated significant variations of atom number density, transport, and structural properties of methane nanofluidics near the surfaces considering Poiseuille flow of methane in the rough silicon nanochannel. He 25 reported that neglecting the effect of adsorption on methane transport resulted in breakdown of the Knudsen diffusion model in clay nanopores.…”

Section: Introductionmentioning

confidence: 99%

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Nanoscale Two-Phase Flow of Methane and Water in Shale Inorganic Matrix

Liu

Zhao

et al. 2018

J. Phys. Chem. C

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Both connate water and the injected water through hydraulic fracturing can coexist with methane inside shale nanopores where two-phase flow possibly occurs. Few studies have been pertaining to two-phase flow of water and methane in shale reservoirs at nanoscale. In this work, molecular dynamics simulations are employed to investigate two-phase flow of water and methane in slit-shaped silica nanopores with hydrophilic surfaces. A sandwich structure of water film−methane−water film or a structure of the methane gas bubble wrapped in water bridge exists in the nanopore because water wets the surfaces. Darcy's law breaks down for methane single-phase flow in the nanopore because of the slippage near the surfaces. For two-phase flow of water and methane within the nanopore, water flow pattern varies in the form of water film, water bridge and water pillar at different applied accelerations (different pressure gradients), showing the breakdown of Darcy's law for water flow. This is attributed to the inhomogeneous number density distribution near the surfaces, which arises from the electrostatic interactions and the hydrogen bonds between water molecules and the surfaces. However, the varied water flow patterns have no effect on methane flow rate, suggesting that Darcy's law holds for methane flow in two-phase flow of water and methane inside the nanopore. This can be explained by the increased friction between methane and fluctuating water films. The results will advance understanding the mechanism of water and gas transport in nanoporous media and the exploitation of shale resources.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Nanoscale Two-Phase Flow of Methane and Water in Shale Inorganic Matrix

Liu

Zhao

et al. 2018

J. Phys. Chem. C

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“…Here, is the averaged gap between the ( )th fluid layer and the l th fluid layer, the subscripts z indicates the position of the fluid molecule in the z direction, (the methane molecule diameter), and 〈 〉 denotes the ensemble average. The local viscosities of the methane fluid were calculated by the Poiseuille flow method as follows 55 : …”

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Jiang

Zhang

2022

Sci Rep

Self Cite

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Mathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical nature of the simulated system in FFAM is the same with that in MDS. Two nano slit channel heights respectively with two different liquid-channel wall interactions were addressed. The flow velocity profiles across the channel height respectively calculated from MDS and FFAM were compared. By introducing the equivalent value $${{\Delta_{im} } \mathord{\left/ {\vphantom {{\Delta_{im} } D}} \right. \kern-\nulldelimiterspace} D}$$ Δ im / D , FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows.

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“…Lau et al (2016) have demonstrated a solution for high throughput of fluids at micron level on the basis of flow cytometry. The existing demonstrations of optofluidic time-stretch imaging were based on the inertial flow microfluidic platforms [ 25 , 26 , 27 , 28 , 29 , 30 , 31 ]. Li et al (2016) have used the cross shaped microchannels in order to study the electrokinetic instability numerically [ 32 ].…”

Section: Introductionmentioning

confidence: 99%

Simulation, Fabrication and Analysis of Silver Based Ascending Sinusoidal Microchannel (ASMC) for Implant of Varicose Veins

et al. 2017

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Bioengineered veins can benefit humans needing bypass surgery, dialysis, and now, in the treatment of varicose veins. The implant of this vein in varicose veins has significant advantages over the conventional treatment methods. Deep vein thrombosis (DVT), vein patch repair, pulmonary embolus, and tissue-damaging problems can be solved with this implant. Here, the authors have proposed biomedical microdevices as an alternative for varicose veins. MATLAB and ANSYS Fluent have been used for simulations of blood flow for bioengineered veins. The silver based microchannel has been fabricated by using a micromachining process. The dimensions of the silver substrates are 51 mm, 25 mm, and 1.1 mm, in length, width, and depth respectively. The dimensions of microchannels grooved in the substrates are 0.9 mm in width and depth. The boundary conditions for pressure and velocity were considered, from 1.0 kPa to 1.50 kPa, and 0.02 m/s to 0.07 m/s, respectively. These are the actual values of pressure and velocity in varicose veins. The flow rate of 5.843 (0.1 nL/s) and velocity of 5.843 cm/s were determined at Reynolds number 164.88 in experimental testing. The graphs and results from simulations and experiments are in close agreement. These microchannels can be inserted into varicose veins as a replacement to maintain the excellent blood flow in human legs.

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Transport properties and structure of dense methane fluid in the rough nano-channels using non-equilibrium multiscale molecular dynamics simulation

Cited by 31 publications

References 39 publications

Nanoscale Two-Phase Flow of Methane and Water in Shale Inorganic Matrix

Nanoscale Two-Phase Flow of Methane and Water in Shale Inorganic Matrix

Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Simulation, Fabrication and Analysis of Silver Based Ascending Sinusoidal Microchannel (ASMC) for Implant of Varicose Veins

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