[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …
computational method for fundamental research in science branches such as biology …
A review on shale oil and gas characteristics and molecular dynamics simulation for the fluid behavior in shale pore
S Sun, S Liang, Y Liu, D Liu, M Gao, Y Tian… - Journal of Molecular …, 2023 - Elsevier
Shale oil and gas primarily exist in nanoscale pore-fracture networks. Thus, it is essential to
clarify the flow behavior of hydrocarbon in confined nanopores. This paper summarizes …
clarify the flow behavior of hydrocarbon in confined nanopores. This paper summarizes …
Molecular insights into carbon dioxide enhanced multi-component shale gas recovery and its sequestration in realistic kerogen
Understanding the governing processes of CO 2 huff-n-puff in shales is essential for
enhancing shale gas recovery and CO 2 sequestration. However, existing studies have not …
enhancing shale gas recovery and CO 2 sequestration. However, existing studies have not …
Transport of shale gas in microporous/nanoporous media: molecular to pore-scale simulations
As the typical unconventional reservoir, shale gas is believed to be the most promising
alternative for the conventional resources in future energy patterns, attracting more and …
alternative for the conventional resources in future energy patterns, attracting more and …
Effect of organic type and moisture on CO2/CH4 competitive adsorption in kerogen with implications for CO2 sequestration and enhanced CH4 recovery
Although research attentions for CO 2 injection in gas-bearing reservoirs have been drawn
to CO 2 sequestration with enhanced gas recovery (CS-EGR), the microscopic competitive …
to CO 2 sequestration with enhanced gas recovery (CS-EGR), the microscopic competitive …
Molecular dynamics simulation and experimental characterization of anionic surfactant: Influence on wettability of low-rank coal
The influence of the anionic surfactant sodium fatty alcohol polyoxyethylene ether
carboxylate (AEC) on the wettability of coal surfaces was studied by combining molecular …
carboxylate (AEC) on the wettability of coal surfaces was studied by combining molecular …
Molecular Simulation of CO2/CH4 Competitive Adsorption on Shale Kerogen for CO2 Sequestration and Enhanced Gas Recovery
The adsorption behavior and underlying mechanism of CO2 and CH4 binary mixture in
shale kerogen significantly affect the CO2 sequestration with enhanced gas recovery project …
shale kerogen significantly affect the CO2 sequestration with enhanced gas recovery project …
Molecular simulation of adsorption behaviors of methane, carbon dioxide and their mixtures on kerogen: Effect of kerogen maturity and moisture content
L Huang, Z Ning, Q Wang, R Qi, Y Zeng, H Qin, H Ye… - Fuel, 2018 - Elsevier
The adsorption behaviors of methane (CH 4), carbon dioxide (CO 2) and their mixtures are
vital to understand the process of CO 2 sequestration and shale gas exploitation. In this …
vital to understand the process of CO 2 sequestration and shale gas exploitation. In this …
High-pressure methane adsorption behavior on deep shales: Experiments and modeling
Understanding methane adsorption behavior on deep shales is crucial for estimating the
original gas in place and enhancing gas recovery in deep shale gas formations. In this …
original gas in place and enhancing gas recovery in deep shale gas formations. In this …
Molecular simulation of gas adsorption in shale nanopores: A critical review
Shale gas is a promising alternative energy due to the advantages of large reserves and
high energy efficiency. The amount of adsorbed gas in shale nanopores is a significant …
high energy efficiency. The amount of adsorbed gas in shale nanopores is a significant …