4.6 Article

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

期刊

JOURNAL OF PHYSICAL CHEMISTRY C
卷 122, 期 46, 页码 26671-26679

出版社

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.8b06780

关键词

-

资金

  1. PetroChina Innovation Foundation [2017D-5007-0206]
  2. Natural Science Foundation of Shandong Province [ZR2018MA027]
  3. China University of Petroleum (East China), Innovation Project [18CX05005A]
  4. Natural Science Foundation of China (NSFC) [61605251]

向作者/读者索取更多资源

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.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Article Chemistry, Multidisciplinary

Nanoindentation and deformation behaviors of silicon covered with amorphous SiO2: a molecular dynamic study

Juan Chen, Junqin Shi, Yunpeng Wang, Jiapeng Sun, Jing Han, Kun Sun, Liang Fang

RSC ADVANCES (2018)

Article Crystallography

Influence of Abrasive Shape on the Abrasion and Phase Transformation of Monocrystalline Silicon

Junqin Shi, Xinqi Wei, Juan Chen, Kun Sun, Liang Fang

CRYSTALS (2018)

Article Materials Science, Multidisciplinary

Effect of indentation speed on deformation behaviors of surface modified silicon: A molecular dynamics study

Juan Chen, Junqin Shi, Meng Zhang, Weixiang Peng, Liang Fang, Kun Sun, Jing Han

COMPUTATIONAL MATERIALS SCIENCE (2018)

Article Materials Science, Multidisciplinary

Effects of graphene coating on the plastic deformation of single crystal copper nano-cuboid under different nanoindentation modes

Weixiang Peng, Kun Sun, Meng Zhang, Junqin Shi, Juan Chen

MATERIALS CHEMISTRY AND PHYSICS (2019)

Article Chemistry, Physical

Strengthening mechanisms of graphene coatings on Cu film under nanoindentation: A molecular dynamics simulation

Weixiang Peng, Kun Sun, Raies Abdullah, Meng Zhang, Juan Chen, Junqin Shi

APPLIED SURFACE SCIENCE (2019)

Article Nanoscience & Nanotechnology

Robust Superlubricity and Moire Lattice's Size Dependence on Friction between Graphdiyne Layers

Xiaopeng Ruan, Junqin Shi, Xiaomei Wang, William Yi Wang, Xiaoli Fan, Feng Zhou

Summary: The study found a reverse correlation between ultra-low friction between graphdiyne bilayers and the size of the Moire ' lattice on the surface, closely related to interfacial energetics, charge density, and atomic arrangement.

ACS APPLIED MATERIALS & INTERFACES (2021)

Article Nanoscience & Nanotechnology

Weak Interaction-Tailored Catalytic Interface of Ultrasmall Gold Nanoclusters as Enzyme Mimics for Enhanced Colorimetric Biosensing

Fangying Sun, Yunyan Liang, Lihua Jin, Junqin Shi, Li Shang

Summary: Through tailored catalytic interfaces via small molecule-mediated weak interactions, the peroxidase-mimic activity of gold nanoclusters (AuNCs) can be significantly enhanced. The small molecule 1-methyl-2-imidazolecarboxaldehyde (MCA) was found to have the most significant effect on enhancing the catalytic activity of glutathione-stabilized AuNCs among all the molecules tested. The presence of MCA promotes the production of center dot OH in the GSH-AuNC system, leading to improved bioanalytical performance of AuNC-based peroxidase mimics.

ACS APPLIED MATERIALS & INTERFACES (2021)

Article Engineering, Chemical

Effect of Film Thickness on Slip and Traction Performances in Elastohydrodynamic Lubrication by a Molecular Dynamics Simulation

Junqin Shi, Junyi Wang, Xiaobin Yi, Xiaoli Fan

Summary: The study used nonequilibrium molecular dynamics simulations to investigate the slip and traction properties of a traction fluid under high-temperature and -pressure conditions. Different film thicknesses were found to correspond to various solid-like or liquid phases, with an inverse proportion relationship between slip length and traction coefficient.

TRIBOLOGY LETTERS (2021)

Article Chemistry, Physical

Single transition metal atom anchored on VSe2 as electrocatalyst for nitrogen reduction reaction

Jiahui Wang, Zhifen Luo, Xicheng Zhang, Xian Zhang, Junqin Shi, Tengfei Cao, Xiaoli Fan

Summary: This study investigates the NRR catalytic performance of single transition metal atoms anchored on two dimensional VSe2, with W-VSe2 showing the best performance. The results suggest that the limiting potential of NRR on TM-VSe2 is negatively correlated with the adsorption energy of reaction intermediate *N-NH and related with the total magnetic moment of TM-VSe2.

APPLIED SURFACE SCIENCE (2022)

Article Chemistry, Physical

Carbonaceous soot dispersion characteristic and mechanism in lubricant with effect of dispersants by molecular dynamics simulation and experimental studies

Junqin Shi, Xiaobin Yi, Junyi Wang, Ge Jin, Yang Lu, Hongxing Wu, Xiaoli Fan

Summary: The dispersion behavior and mechanism of soot agglomerate in a lubricating system were investigated through molecular dynamics (MD) simulation and experimental study. The findings showed that the dispersant concentration had a significant influence on the dispersion characteristics of carbonaceous soot, and this influence varied under different conditions.

CARBON (2022)

Article Chemistry, Multidisciplinary

Monolithic MOF-Based Metal-Insulator-Metal Resonator for Filtering and Sensing

Zhihuan Li, Jianxi Liu, Li Feng, Yan Pan, Jiao Tang, Hang Li, Guanghua Cheng, Zhongyang Li, Junqin Shi, Yadong Xu, Weimin Liu

Summary: This study presents a monolithic metal-organic framework (MOF)-based MIM resonator with tunable bandwidth through laser-processing microwell arrays. The reflection color of the resonator can be programmed by controlling the MOF layer thicknesses, and the sensing performance is enhanced by the microwell arrays, which facilitate the diffusion of external chemicals into the nanopores of the MOFs.

NANO LETTERS (2023)

Article Chemistry, Multidisciplinary

Controlled Growing of Graphdiyne Film for Friction Reduction and Antiwear

Peiwei Gong, Juan Li, Junyi Wang, Wei Wu, Cheng Li, Dandan Wang, Junqin Shi, Jianxi Liu, Feng Zhou, Weimin Liu

Summary: Graphdiyne (GDY) is a promising 2D material with similar potential to multilayered graphene, but it has been rarely studied due to the challenges in growing a controllable GDY film on different surfaces. Researchers have developed a catalytic pregrowth and solution polymerization method to synthesize a GDY film on various substrates with fine control over its structure and thickness. The experimental results show that GDY has an ultralow friction coefficient and a relatively long lifespan.

ACS NANO (2023)

Article Chemistry, Physical

Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations

Junqin Shi, Hang Li, Yang Lu, Lin Sun, Shaofeng Xu, Xiaoli Fan

Summary: The synergistic effect of organic friction modifiers (OFMs) consisting of glycerol monolaurate (GML) and tri-n-octylamine (N888) in base oil was studied using molecular dynamics simulations. The results showed that N888 molecules interspersed among GML molecules to form an intercoordination adsorption film. The system with a ratio of 3:1 of GML to N888 exhibited the best synergistic lubrication with the lowest friction coefficient. Chemisorption of GML molecules on the Fe2O3 surface was confirmed by density function theory. High shear velocity led to the breakage of the adsorption film and increased friction, while contact pressure helped reduce friction. The synergistic lubrication was attributed to the interface slip between the base oil and OFM films, rather than the interlaminar shear caused by an imbalanced combination or high shear velocity.

APPLIED SURFACE SCIENCE (2023)

Article Chemistry, Physical

Ferromagnetic GdX (X = Cl, Br) Monolayers with Large Perpendicular Magnetic Anisotropy and High Curie Temperature

Yuwan Wang, Xicheng Zhang, Zhihao Gao, Tengfei Cao, Junqin Shi, Xiaoli Fan

Summary: The electronic and magnetic properties of GdX (X = Cl and Br) monolayers and GdCl/GdBr heterojunctions were investigated through theoretical calculations. Both GdCl and GdBr monolayers exhibit high Curie temperatures and large perpendicular magnetic anisotropy, and possess topological properties and spin-orbit-induced energy band reversion. Two stable stacking configurations were found for the GdCl/GdBr bilayer heterojunction, maintaining the high Curie temperatures and topological properties. These findings highlight the potential of GdCl and GdBr monolayers in nanoscale spintronic devices.

JOURNAL OF PHYSICAL CHEMISTRY C (2023)

暂无数据