Distribution and flow of methane and water in kaolinite nanoslits
Source abstract
Abstract
Inorganic mineral pores in coal are highly effective conduits for the transport of methane and water but are primary sites for water blocking. Current research on methane/water two-phase flow in coal focuses on pores in organic matter, and few studies have been performed on inorganic mineral pores. Inorganic materials are typically hydrophilic, making it essential to investigate the distribution and transport of two-phase flow in inorganic mineral nanofluidic channels. In this study, a nanoscale kaolinite slit model was constructed using results from scanning electron microscopy and energy dispersive spectroscopy Molecular dynamics simulations were conducted on methane and water in the model. The influence of water saturation, pressure differential, and pore size on two-phase flow was systematically analyzed. Water molecules preferentially adsorb onto the surface of kaolinite channels. With increasing water saturation, the water molecules order into various structures, such as films, bridges, and locks. The presence of water substantially reduces the space available for methane flow. As the water saturation increases, for methane, the peak density near the channel walls decreases, the distribution gradually becomes parabolic, and the flow rate decreases considerably (particularly for 0–45% water saturation). At 45% water saturation, the methane flow rate is 69.46% lower than that for single-phase methane flow. Both the water and methane flow rates increase with the pore size, but the effect is stronger for water than for methane. These findings provide valuable insights into the underlying mechanisms of water blockage and could make production performance prediction more accurate.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Coal Properties and Utilization · Granular flow and fluidized beds · Landfill Environmental Impact Studies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (52)
Show source-provided references
1. Fractal permeability model for a complex tortuous fracture network10.1063/5.0063354 ↗
2. Cleat-scale characterisation of coal: An overview10.1016/j.jngse.2017.01.025 ↗
3. Insight on microscopic mechanisms of CH4 and CO2 adsorption of coal with different ranks10.1016/j.fuel.2022.125715 ↗
4. Controlled mechanism of dynamic behavior of water-based ultrasonic cavitation in coal pore microstructure10.1016/j.fuel.2023.130003 ↗
5. Water saturation characteristics of coal of different ranks and its effect on capillary pressure10.1002/ese3.1728 ↗
6. The mechanism and relief method of the coal seam water blocking effect (WBE) based on the surfactants10.1016/j.powtec.2017.09.044 ↗
7. Analytical modelling of the water block phenomenon in hydraulically fractured wells10.1016/j.jngse.2019.04.018 ↗
8. Multiphase fluid-rock interactions and flow behaviors in shale nanopores: A comprehensive review10.1016/j.earscirev.2024.104884 ↗
9. Micro/nano-pore structure characterization of Western and central Nepal coals using scanning electron microscopy and gas adsorption10.1166/jnn.2017.14401 ↗
10. Pore structure characterization of different rank coals using gas adsorption and scanning electron microscopy10.1016/j.fuel.2015.06.050 ↗
11. Modelling the surface adsorption of methane on carbon nanostructures10.1016/j.carbon.2011.03.046 ↗
12. A molecular dynamics simulation of air adsorption in single-walled carbon nanotube bundles10.1002/qua.21590 ↗
13. Simulation of gas adsorption on single-walled carbon nanotubes10.1038/s41598-025-99988-5 ↗
14. Effects of moisture on methane desorption characteristics of the Zhaozhuang coal: Experiment and molecular simulation10.1007/s12665-019-8788-9 ↗
15. From coal to single-stage and two-stage products: A reactive model of coal structure10.1016/0016-2361(84)90422-8 ↗
16. 1984
17. Molecular simulation of the CH4/CO2/H2O adsorption onto the molecular structure of coal10.1007/s11430-014-4849-9 ↗
18. Two-phase flow characteristics of high-temperature CO2 and water and dynamic wettability variations in nano-scale coal pores with different sizes and shapes10.1016/j.fuel.2025.136406 ↗
19. A molecular dynamics study of methane/water diffusion and water-blocking effects in coalbed methane10.1016/j.fuel.2024.134234 ↗
20. Methane desorption-diffusion behaviors in micropores of coal under different water displacement pressures10.1021/acs.langmuir.4c03350 ↗
21. Mechanisms for kerogen wettability transition from water-wet to CO2-Wet: Implications for CO2 sequestration10.1016/j.cej.2021.132020 ↗
22. Supercritical methane diffusion in shale nanopores: Effects of pressure, mineral types, and moisture content10.1021/acs.energyfuels.7b02892 ↗
23. Two-phase transport characteristic of shale gas and water through hydrophilic and hydrophobic nanopores10.1021/acs.energyfuels.0c00212 ↗
24. Nanoscale two-phase flow of methane and water in shale inorganic matrix10.1021/acs.jpcc.8b06780 ↗
25. Water and methane in shale rocks: Flow pattern effects on fluid transport and pore structure10.1002/aic.14869 ↗
26. Coalbed methane diffusion and water blocking effects investigated by mesoscale all-atom molecular dynamic simulations10.1039/d0ra07967g ↗
27. Molecular simulation study based on adsorption of gas (CO2, O2, CH4) on coal10.3390/fire6090355 ↗
28. Molecular simulation of coal-fired plant flue gas competitive adsorption and diffusion on coal10.1016/j.fuel.2018.11.011 ↗
29. Molecular simulation of adsorption of gas in coal slit model under the action of liquid nitrogen10.1016/j.fuel.2019.115775 ↗
30. Molecular dynamics study on CO(2) storage in water-filled kerogen nanopores in shale reservoirs: Effects of kerogen maturity and pore size10.1021/acs.langmuir.0c03232 ↗
31. Adsorption behavior of shale oil and water in the kerogen-kaolinite pore by molecular simulations10.1016/j.molliq.2023.123549 ↗
32. The influence of CO2 and CH4 mixture on water wettability in organic rich shale nanopore10.1016/j.jngse.2020.103746 ↗
33. Molecular simulation of methane adsorption in deep shale nanopores: Effect of rock constituents and water10.3390/min13060756 ↗
34. Effects of water on gas flow in quartz and kerogen nano-slits in shale gas formations10.1016/j.jngse.2022.104770 ↗
35. Water sorption and distribution characteristics in clay and shale: Effect of surface force10.1021/acs.energyfuels.6b00927 ↗
36. Molecular dynamics simulation of methane transport in confined organic nanopores with high relative roughness10.1016/j.jngse.2018.12.010 ↗
37. Multiscale transport mechanism of shale gas in micro/nano-pores10.1016/j.ijheatmasstransfer.2017.04.050 ↗
38. Gas transport and diffusion coefficients in a coupling coal system of matrix and nano-fracture: A molecular simulation study10.1016/j.jngse.2022.104407 ↗
39. Molecular simulation of CH4, CO2, H2O and N2 molecules adsorption on heterogeneous surface models of coal10.1016/j.apsusc.2016.08.021 ↗
40. Investigation of permeability stress induced damage evolution of shallow and deep coal reservoirs in the Junggar Basin, China10.1007/s00603-025-05055-w ↗
41. Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field10.1021/jp0363287 ↗
42. The missing term in effective pair potentials10.1021/j100308a038 ↗
43. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids10.1021/ja9621760 ↗
44. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
45. Canonical dynamics: Equilibrium phase-space distributions10.1103/physreva.31.1695 ↗
46. Visualization and analysis of atomistic simulation data with OVITO–the open visualization tool10.1088/0965-0393/18/1/015012 ↗
47. Investigation on gas/water two-phase flow in quartz nanopores from molecular perspectives10.1016/j.molliq.2022.121145 ↗
48. Pattern and dynamics of methane/water two-phase flow in deep-shale illite nanoslits10.1016/j.ijheatfluidflow.2024.109625 ↗
49. Molecular insight of flow property for gas-water mixture (CO2/CH4-H2O) in shale organic matrix10.1016/j.fuel.2020.119720 ↗
50. How to accurately predict nanoscale flow: Theory of single-phase or two-phase?10.1063/5.0134510 ↗
51. Pressure-dependent transport characteristic of methane gas in slit nanopores10.1016/j.ijheatmasstransfer.2018.03.003 ↗
52. Slip velocity of methane flow in nanopores with Kerogen and quartz surfaces10.2118/176989-pa ↗