4.7 Article

Molecular Understanding on Migration and Recovery of Shale Gas/Oil Mixture through a Pore Throat

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Energy & Fuels

Molecular dynamics simulation of model asphaltenes between surfaces of varying polarity

Wenyuan Sun et al.

Summary: This study investigates the molecular interaction behaviors of a model asphaltene C5Pe between solid surfaces of varying polarity in different solvents using molecular dynamics simulations. The results reveal distinct adsorption behaviors driven by the interaction between C5Pe molecules and surfaces in solvents of different nature. The adsorption behaviors are influenced by the nature of the solvent and the polarity of the surfaces. Potential of mean force calculations demonstrate the interplay between enthalpy-driven adsorption and entropy-driven adsorption. The study provides a mechanistic understanding of asphaltene-surface interactions in solution media.
Article Energy & Fuels

Sticky layers affect oil transport through the nanopores of realistic shale kerogen

Sen Wang et al.

Summary: This study focuses on the adsorption and pressure-driven flow behavior of multicomponent hydrocarbon mixtures through realistic shale kerogen nanopores, revealing a parabolic velocity profile of hydrocarbons only in the central pore and the formation of a sticky layer on the kerogen surface. The existence of the sticky layer decreases the mobilized cross-sectional area of the kerogen pore, dramatically impeding the transport capability of shale oil.
Article Energy & Fuels

Influence of injected gas type and reservoir conditions on the oil migration in calcite nanoslits

Shujun Li et al.

Summary: This study investigated the effects of gas on oil migration behavior in calcite nanoslits at a molecular level, revealing two types of migration behaviors during gas flooding: overall migration and gas channel. It was found that the injected gas had a sequence of CO2>C3H8>CH4>N2 under deep reservoirs, which may facilitate the exploration of deep reservoirs.

JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING (2022)

Article Thermodynamics

Formation mechanism and structural characteristic of pore-networks in shale kerogen during in-situ conversion process

HengYu Xu et al.

Summary: In-situ conversion process (ICP) is a promising method for enhancing hydrocarbon recovery in shale reservoirs. The pyrolysis behavior of kerogen is influenced by the maturity of kerogen and pyrolysis temperature, with optimal temperature for developing high-quality pore-networks around 2300K.

ENERGY (2022)

Article Engineering, Environmental

Molecular insight into replacement dynamics of CO2 enhanced oil recovery in nanopores

Runxi Wang et al.

Summary: In this study, molecular dynamics simulations were used to investigate the kinetics of alkane replacement using CO2 in micropores. It was found that the microstructure and diffusivity of n-decane in micropores varied with pore size. A diffusion model was proposed to analyze the replacement mechanisms under different pore sizes, highlighting the importance of micropores in CO2 enhanced oil recovery.

CHEMICAL ENGINEERING JOURNAL (2022)

Review Energy & Fuels

Advances in and Perspectives on Strategies for Improving the Flowability of Waxy Oils

Bo Yao et al.

Summary: This work systematically reviews the research advances in improving the flowability of waxy oil, focusing on the crystallization properties, phase behavior, and recent developments in pour point depressants. Mechanisms, processes, and progress in flow improvement of waxy oil are discussed from three major aspects.

ENERGY & FUELS (2022)

Article Energy & Fuels

Molecular dynamics study of fluid-fluid and solid-fluid interactions in mixed-wet shale pores

Changjae Kim et al.

Summary: This study used molecular dynamics simulations to investigate the initial distribution of reservoir fluids in mixed-wet pores. The results showed a strong affinity between asphaltene/resin fraction and kerogen surfaces, as well as hydrogen bonding between polar constituents in this fraction and water. Water was found to form bridge-like structures between opposing surfaces. These findings have important implications for understanding fluid transport and enhanced oil recovery (EOR) processes in shale nanopores.
Article Chemistry, Physical

Asphaltene aggregation and deposition in pipeline: Insight from multiscale simulation

Jun Zhang et al.

Summary: The colloidal structure and interactions of crude oil in pipelines were studied using large-scale dissipative particle dynamics simulations and all-atom molecular dynamics simulations. The results showed that temperature, pressure, and flow speed collectively influenced the colloidal structure of crude oil, and the competitive adsorption of crude oil components on pipeline surface was revealed.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2022)

Article Energy & Fuels

Molecular anatomy and macroscopic behavior of oil extraction from nanopores by CO2 and CH4

Do Yoon Moh et al.

Summary: This study investigates the gas-enhanced recovery of decane using CO2 and CH4 gases under reservoir conditions. The results show that both gases form free and adsorbed molecules within the pores, leading to the extraction of decane. The exchange between CO2 and decane is driven by adsorbed molecules initially, while the exchange between CH4 and decane is dominated by free molecules. However, the overall gas accumulation and decane extraction behavior for both CO2 and CH4 gases follow diffusion laws.
Article Chemistry, Physical

Competitive adsorption of asphaltene and n-heptane on quartz surfaces and its effect on crude oil transport through nanopores

XiangYu Hong et al.

Summary: This study investigates the competitive adsorption of asphaltene and n-heptane on quartz surfaces using molecular dynamics simulations. The results show that asphaltene exhibits stronger adsorption ability than n-heptane, leading to a significant decrease in the transport flux of n-heptane in nanopores caused by asphaltene deposition. The presence of surface hydroxyl groups on the quartz substrates has a prominent impact on asphaltene adsorption, resulting in an enhancement of oil flux through SiO2 nanopores.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Breakthrough pressure of oil displacement by water through the ultra-narrow kerogen pore throat from the Young-Laplace equation and molecular dynamic simulations

Yinuo Zhao et al.

Summary: As a common unconventional reservoir, shale plays a crucial role in compensating for the depletion of conventional oil resources. This study used molecular dynamics simulations to investigate the displacement of oil by water through a similar to 2 nm kerogen pore throat. The results showed that water had excellent displacement efficiency in the presence of heteroatoms on the kerogen surface, despite the oil-wet nature of the kerogen. Additionally, the widely used Young-Laplace equation accurately predicted the capillary pressure in the kerogen pore throat.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Engineering, Environmental

Molecular insight into replacement dynamics of CO2 enhanced oil recovery in nanopores

Runxi Wang et al.

Summary: The study revealed that the microstructures of n-decane in micropores undergo significant changes with pore size, leading to oscillations in density and diffusivity. By proposing a diffusion model and analyzing different replacement mechanisms under varying pore sizes, the importance of micropores in CO2 enhanced oil recovery was demonstrated.

CHEMICAL ENGINEERING JOURNAL (2022)

Review Energy & Fuels

Transport of Shale Gas in Microporous/Nanoporous Media: Molecular to Pore-Scale Simulations

Hao Yu et al.

Summary: This comprehensive review discusses the current advances of multiscale transport simulations of shale gas in microporous/nanoporous media, covering molecular dynamics simulations and lattice Boltzmann method approaches, emphasizing the effects of various factors on gas transport characteristics in nanopores.

ENERGY & FUELS (2021)

Article Energy & Fuels

Enhanced Gas Recovery in Kerogen Pyrolytic Pore Network: Molecular Simulations and Theoretical Analysis

HengYu Xu et al.

Summary: This study conducted comprehensive research on the EGR process in a realistic kerogen pore network using ReaxFF MD simulations, unveiling the influence of injection gas proportions and pressures on pore properties, and proposing an analytical model based on particle trajectory capture technology, as well as a hybrid recovery strategy.

ENERGY & FUELS (2021)

Article Energy & Fuels

Pore-scale imaging of asphaltene-induced pore clogging in carbonate rocks

Qingyang Lin et al.

Summary: This experimental methodology combines core flooding experiments with X-ray micro-CT to visualize asphaltene precipitation in the pore space of rocks and assess the reduction in permeability. The study found that precipitated asphaltene occupied 39.1% of the pore volume and caused a 29-fold reduction in permeability. Furthermore, numerical analysis of the flow field showed that after precipitation, the flow was confined to narrow channels in the pore space, with good agreement between simulated and measured permeability.
Article Energy & Fuels

The miscible behaviors and mechanism of CO2/CH4/C3H8/N2 and crude oil in nanoslits: A molecular dynamics simulation study

Ping Wang et al.

Summary: The study investigates the miscible behaviors of different gas and crude oils in nanoslits through molecular dynamics simulations, finding that gas type, polarity, and crude oil chain length can affect the miscibility process, with CO2, CH4, C3H8, and N2 being more miscible with apolar crude oil.
Article Engineering, Environmental

Dynamics and miscible behaviors of hydrocarbon gas and crude oil in nanoslits: Effects of light gas type and crude oil components

Xiaofang Li et al.

Summary: Through molecular dynamics simulations, the miscible behavior between hydrocarbon gas and crude oil in nanoslits was investigated, revealing that longer chain length of hydrocarbon gas enhances miscibility with crude oil, while increasing polarity of crude oil reduces miscibility with hydrocarbon gas.

CHEMICAL ENGINEERING JOURNAL (2021)

Article Engineering, Chemical

How the oil recovery in deep oil reservoirs is affected by injected gas types: A molecular dynamics simulation study

Timing Fang et al.

Summary: This study investigated the impact of gas injection on the development of deep oil reservoirs through molecular dynamic simulation. It was found that the type of gas had little effect on oil dissolution in deep reservoirs, but had a significant impact on the detachment of oil from mineral surfaces. The reservoir environment mainly influenced the dissolution of long-chain components.

CHEMICAL ENGINEERING SCIENCE (2021)

Article Energy & Fuels

CO2-regulated octane flow in calcite nanopores from molecular perspectives

Wei Zhang et al.

Summary: The study shows that CO2 forms a thin film in calcite nanopores, and only after the CO2 adsorption layer is fully saturated, can it mix with nC8 to reduce viscosity and increase total flow rate.
Article Thermodynamics

Entropy and enthalpy changes during adsorption and displacement of shale gas

Kui Lin et al.

Summary: This paper analyzes the kinetic processes of adsorption and displacement during shale gas exploitation using molecular dynamics simulations and statistical mechanics analyses. The results show that different displacement media have different driving mechanisms for the displacement process of CH4.

ENERGY (2021)

Article Energy & Fuels

Characterization of Closed Pores in Longmaxi Shale by Synchrotron Small-Angle X-ray Scattering

Linhao Zhang et al.

Summary: The study systematically characterized the closed pores of Longmaxi Formation shale in Sichuan Basin by combining small-angle X-ray scattering with two fluid intrusion methods. Factors such as TOC content and mineral composition were found to affect the development of closed pores in the shale, while a relationship between shale matrix permeability and the fraction of closed pores was indirectly observed. Additionally, the fractal dimension of the system was deduced to be influenced by the closed pores, indicating potential for increased oil and gas production and recovery rates through further opening of the closed system during shale gas development.

ENERGY & FUELS (2021)

Article Chemistry, Multidisciplinary

Study on the Influence of Shale Storage Space Types on Shale Gas Transport

Qichao Gao et al.

Summary: This study investigates the microstructure of shale and gas transport law, revealing three types of storage spaces in shale samples. The proportion of organic components in mixed pores affects gas transport efficiency, while the rough fractal dimension of pores influences gas transport, particularly for pore diameters less than 300 nm. The study also highlights the sensitivity of gas transport in macropores to changes in water film thickness on the inorganic wall surface of mixed pores.

ACS OMEGA (2021)

Article Chemistry, Physical

Molecular insight into the oil displacement mechanism of gas flooding in deep oil reservoir

Chunming Xiong et al.

Summary: The study shows that in deep reservoirs, CO2 has the highest displacement capability, followed by C3H8, CH4, and N2. The solubility of gas, adsorption strength of oil, and detachment capability of injected gas are crucial factors affecting displacement performance.

CHEMICAL PHYSICS LETTERS (2021)

Article Geochemistry & Geophysics

Effect of Shale Sample Particle Size on Pore Structure Obtained from High Pressure Mercury Intrusion Porosimetry

Zhiye Gao et al.

Summary: The study found that the particle size of shale samples can significantly affect the pore structure obtained from HPMIP, resulting in exponential increase of porosity with particle size, increased mercury retention with smaller particle size, positive correlation between fractal dimension and particle size, and increased skeletal density with decreasing particle size.

GEOFLUIDS (2021)

Article Energy & Fuels

An analysis of major scientific problems and research paths of Gulong shale oil in Daqing Oilfield, NE China

Sun Longde et al.

Summary: The study focused on the characteristics and issues of Gulong shale oil, proposing main results in terms of organic matter source, reservoir characteristics, and mineral evolution. Three key research suggestions were put forward to achieve economic utilization of Gulong shale oil.

PETROLEUM EXPLORATION AND DEVELOPMENT (2021)

Article Energy & Fuels

Microscale comprehensive evaluation of continental shale oil recoverability

Jin Xu et al.

Summary: This paper focuses on the key parameters of shale oil reservoirs in four major basins in China and reveals their effectiveness, oil content, crude oil movability, and fracability under identical experimental conditions. The research overcomes limitations of conventional analysis methods, develops evaluation methods for different types of shale oil resources, and provides insights through comparative analysis of the four major basins.

PETROLEUM EXPLORATION AND DEVELOPMENT (2021)

Article Engineering, Environmental

Adsorption behaviors of shale oil in kerogen slit by molecular simulation

Yongfei Yang et al.

CHEMICAL ENGINEERING JOURNAL (2020)

Article Energy & Fuels

Migration of oil/methane mixture in shale inorganic nano-pore throat: A molecular dynamics simulation study

Yingnan Zhang et al.

JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING (2020)

Article Thermodynamics

Static and dynamic behavior of CO2 enhanced oil recovery in nanoslits: Effects of mineral type and oil components

Timing Fang et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2020)

Article Engineering, Chemical

Enhanced oil recovery with CO2/N2 slug in low permeability reservoir: Molecular dynamics simulation

Timing Fang et al.

CHEMICAL ENGINEERING SCIENCE (2019)

Article Energy & Fuels

Adsorption-induced pore blocking and its mechanisms in nanoporous shale due to interactions with supercritical CO2

Xianfu Huang et al.

JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING (2019)

Article Chemistry, Physical

Oil diffusion in shale nanopores: Insight of molecular dynamics simulation

Wei Zhang et al.

JOURNAL OF MOLECULAR LIQUIDS (2019)

Article Chemistry, Physical

The role of calcite and silica interfaces on the aggregation and transport of asphaltenes in confinement

Sohaib Mohammed et al.

JOURNAL OF MOLECULAR LIQUIDS (2019)

Article Engineering, Chemical

Study on the Asphaltene Precipitation in CO2 Flooding: A Perspective from Molecular Dynamics Simulation

Timing Fang et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2018)

Article Multidisciplinary Sciences

Molecular mechanism of viscoelastic polymer enhanced oil recovery in nanopores

Jing Cun Fan et al.

ROYAL SOCIETY OPEN SCIENCE (2018)

Article Thermodynamics

Multiscale transport mechanism of shale gas in micro/nano-pores

Hao Yu et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2017)

Article Nanoscience & Nanotechnology

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

Jie Chen et al.

AIP ADVANCES (2017)

Article Energy & Fuels

Effect of nano-confinement on high pressure methane flow characteristics

Zhehui Jin

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING (2017)

Article Chemistry, Physical

Flow of methane in shale nanopores at low and high pressure by molecular dynamics simulations

Zhehui Jin et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Energy & Fuels

Movability of lacustrine shale oil: A case study of Dongying Sag, Jiyang Depression, Bohai Bay Basin

Zhang Linye et al.

PETROLEUM EXPLORATION AND DEVELOPMENT (2014)

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Chemistry, Multidisciplinary

PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations

L. Martinez et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Energy & Fuels

Experimental investigation of asphaltene deposition mechanism during oil flow in core samples

N. I. Papadimitriou et al.

JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING (2007)

Article Chemistry, Multidisciplinary

Pore classification in the characterization of porous materials: A perspective

Borislav D. Zdravkov et al.

CENTRAL EUROPEAN JOURNAL OF CHEMISTRY (2007)

Article Chemistry, Physical

Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field

RT Cygan et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)