Article
Energy & Fuels
Ran Li, Zhangxin Chen, Keliu Wu, Xing Hao, Jinze Xu
Summary: This study introduces an analytical model for water-oil two-phase flow in inorganic nanopores of shale oil reservoirs, taking into account water and oil slippage at the solid substrate and the impact of pore dimensions on oil movement. The model better predicts oil transport behavior in actual reservoir conditions by incorporating nanopore properties and discusses the effects of surface wettability and oil properties on water-oil flow.
Article
Energy & Fuels
Wei Zhang, Qihong Feng, Sen Wang, Xianmin Zhang, Jiyuan Zhang, Xiaopeng Cao
Summary: This study used molecular dynamics simulation to investigate the oil-water two-phase flow in shale reservoirs. The results revealed the layered structure of water-oil-water in quartz nanopores and observed density dip and extremely low apparent viscosity at the oil-water interface. Two mathematical models were proposed based on the nano-effects, which described the nanoscale oil-water two-phase flow.
Article
Engineering, Chemical
Wei Zhang, Qihong Feng, Zhehui Jin, Xiangdong Xing, Sen Wang
Summary: The presence of water bridges in calcite nanopores can enhance oil flow and provide theoretical support for shale oil exploration. Decreasing water content leads to a transition from slug flow to laminar flow, resulting in a significant decrease in total volume flux. Liquid-liquid slip effects between water and oil layers positively impact oil flow in calcite nanopores.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Geochemistry & Geophysics
Sidong Fang, Cheng Dai, Junsheng Zeng, Heng Li
Summary: This paper presents a new model for studying the flow performances of fractured horizontal wells in deep-marine shale gas, providing a decisive resource basis for large-scale shale gas production. The model considers the influence of fractures and stress sensitivity on gas-water flow dynamics.
Article
Energy & Fuels
Qiquan Ran, Xin Zhou, Dianxing Ren, Jiaxin Dong, Mengya Xu, Ruibo Li
Summary: This paper proposes a new simulation method for two-phase shale oil reservoirs that takes into account the microscale effects and validates it using field data. The study reveals that capillary action restricts the flow of shale oil within micro- and nanoscale pores, resulting in reduced oil saturation and flow efficiency.
Article
Engineering, Chemical
Fengyuan Zhang, Hamid Emami-Meybodi
Summary: This study introduces a new semi-analytical method to accurately simulate liquid transport in hydraulic fractures and matrix system. The method is first validated through numerical simulation and successfully applied to a field example.
Article
Chemistry, Physical
Fangtao Lyu, Zhengfu Ning, Zejiang Jia, Zhongqi Mu, Wentong Zhang, Bei Liu
Summary: In this study, the flow characteristics of methane and water in hydroxylated quartz nanopores were investigated using GCMC and MD simulations. The effects of water saturation, pressure gradient, and ion concentration in different aperture nanopores were examined. The results showed that water molecules adsorb on the quartz surface, increasing methane flow friction and reducing its slippage velocity. Water bridges wrap gas bubbles and hinder gas flow with increasing water saturation. The study shed light on the flow phenomena of gas/water phases in hydrophilic nanopores and has potential applications in energy and environmental issues.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Geochemistry & Geophysics
Xiaoji Shang, Zhizhen Zhang, Yixin Niu, Xiao Yang, Feng Gao
Summary: A gas-water two-phase separate flow model for single coal seam, considering gas solubility, was proposed and verified through history matching of production data. The model was applied to investigate the effect of gas solubility on gas pressure.
Article
Energy & Fuels
Yu-Liang Su, Ji-Long Xu, Wen-Dong Wang, Han Wang, Shi-Yuan Zhan
Summary: In this study, a relative permeability model based on a modified Hagen-Poiseuille equation and shale reconstruction algorithm is proposed to consider the nanoconfined effects, oil-water distribution, pore size distribution, total organic matter content, and micro-fracture. The results show that the contact angles of organic matters and inorganic minerals affect the relative permeability of both oil and water, and the viscosity ratio affects the relative permeability in different ways for oil and water phases. Additionally, the total organic matter content has a negative impact on the effective permeability of oil and water.
Article
Environmental Sciences
Weiyang Xie, Jianfa Wu, Xuefeng Yang, Cheng Chang, Jian Zhang
Summary: This study establishes a mathematical model for gas-water two-phase flow in shale gas wells, identifies characteristic parameters and an index system for evaluating flowback effects, and finds the relationship between flowback effects and production capacity.
Article
Mechanics
Jing-Wu Dong, Chih-Yung Huang
Summary: This study integrates the effects of effective mean free path, volume diffusion, and wall-to-wall collisions into the Navier-Stokes equations, extending its applicability to a wide range of Knudsen numbers. The dimensionless mass flow rates calculated by the proposed model are consistent across different conditions and largely agree with experimental data.
Article
Engineering, Civil
Zhao Liu, Youhong Sun, Qiang Li, Wei Guo
Summary: This study further investigates the influence of high-permeability zones on gas injection in 2-D porous media, demonstrating the feasibility of isolating the oil shale pyrolysis zone from the surrounding hydrological environment. The results indicate that the gas-water flow characteristics are directly affected by the distribution of local pressure fields, and the water-stopping effect of gas injection primarily occurs in the high-permeability zone, with the best results achieved when the gas-injection point is set at the boundary or inside the high-permeability zone.
JOURNAL OF HYDROLOGY
(2022)
Article
Thermodynamics
Baochao Shan, Runxi Wang, Zhaoli Guo, Peng Wang
Summary: The study reveals that slip flow dominates in the bulk region while enhanced surface diffusion mainly contributes to the total mass flux in the adsorbed region of organic pores in shale nanopores. On the other hand, no slip is observed in inorganic pores, indicating significant differences in gas transport mechanisms between organic and inorganic pores, which is crucial for a better understanding of gas transport in shale gas reservoirs.
Article
Thermodynamics
Jienan Pan, Xuetian Du, Xianglong Wang, Quanlin Hou, Zhenzhi Wang, Jiale Yi, Meng Li
Summary: This study examines the effects of supercritical carbon dioxide (ScCO2) fracturing on coal reservoir pore modification and discusses the influence of stress and injection rate. The results show that ScCO2 fracturing has a significant impact on coal pore modification, with an increase in porosity, pore volume, pore throat volume, and permeability. The influence of stress differences on pore modification also varies.
Article
Mechanics
Qingshan Guan, Baochao Shan, Runxi Wang, Guang Feng, Zhaoli Guo
Summary: This study compared force-driven and pressure-driven particle actuation modes in nano-channel flows using molecular dynamics simulations, showing significant differences at different wall conditions but converging with increasing roughness.
Article
Chemistry, Multidisciplinary
Juan Chen, Junqin Shi, Yunpeng Wang, Jiapeng Sun, Jing Han, Kun Sun, Liang Fang
Article
Crystallography
Junqin Shi, Xinqi Wei, Juan Chen, Kun Sun, Liang Fang
Article
Materials Science, Multidisciplinary
Juan Chen, Junqin Shi, Meng Zhang, Weixiang Peng, Liang Fang, Kun Sun, Jing Han
COMPUTATIONAL MATERIALS SCIENCE
(2018)
Article
Materials Science, Multidisciplinary
Weixiang Peng, Kun Sun, Meng Zhang, Junqin Shi, Juan Chen
MATERIALS CHEMISTRY AND PHYSICS
(2019)
Article
Chemistry, Physical
Weixiang Peng, Kun Sun, Raies Abdullah, Meng Zhang, Juan Chen, Junqin Shi
APPLIED SURFACE SCIENCE
(2019)
Article
Chemistry, Multidisciplinary
Junqin Shi, Qing Zhou, Kun Sun, Guoqiang Liu, Feng Zhou
Article
Nanoscience & Nanotechnology
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
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
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.
Article
Chemistry, Physical
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
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.
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Physical
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
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)