Molecular perspectives of interfacial properties of the hydrogen+ water mixture in contact with silica or kerogen
Interfacial behaviours in multiphase systems containing H 2 are crucial to underground H 2
storage but are not well understood. Molecular dynamics simulations were carried out to …
storage but are not well understood. Molecular dynamics simulations were carried out to …
Interfacial properties of the alkane+ water system in the presence of carbon dioxide and hydrophobic silica
Molecular dynamics simulations were carried out to understand the interfacial properties of
the alkane+ water system in the presence of CO 2 and hydrophobic silica at temperatures …
the alkane+ water system in the presence of CO 2 and hydrophobic silica at temperatures …
Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures
AJ Haslam, A González-Pérez, S Di Lecce… - Journal of Chemical & …, 2020 - ACS Publications
We present the latest developments in thermodynamic modeling using the SAFT-γ Mie
group-contribution equation of state. The group database is updated, featuring now 58 …
group-contribution equation of state. The group database is updated, featuring now 58 …
Bulk and interfacial properties of brine or alkane in the presence of carbon dioxide, methane, and their mixture
AK Narayanan Nair… - Industrial & …, 2022 - ACS Publications
We present an overview of the molecular simulations performed to understand the two-
phase behavior of brine or alkane in the presence of CH4, CO2, and their mixture at …
phase behavior of brine or alkane in the presence of CH4, CO2, and their mixture at …
Bulk and interfacial properties of the decane+ water system in the presence of methane, carbon dioxide, and their mixture
Y Yang, AK Narayanan Nair… - The Journal of …, 2020 - ACS Publications
Molecular dynamics simulations are carried out to study the two-phase behavior of the n-
decane+ water system in the presence of methane, carbon dioxide, and their mixture under …
decane+ water system in the presence of methane, carbon dioxide, and their mixture under …
[HTML][HTML] Interfacial properties of the hexane+ carbon dioxide+ water system in the presence of hydrophilic silica
Y Yang, MFA Che Ruslan… - The Journal of …, 2022 - pubs.aip.org
Molecular dynamics simulations were conducted to study the interfacial behavior of the CO
2+ H 2 O and hexane+ CO 2+ H 2 O systems in the presence of hydrophilic silica at …
2+ H 2 O and hexane+ CO 2+ H 2 O systems in the presence of hydrophilic silica at …
Molecular modeling of interfacial properties of the hydrogen+ water+ decane mixture in three-phase equilibrium
Y Yang, J Wan, J Li, G Zhao, X Shang - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
The understanding of interfacial phenomena between H2 and geofluids is of great
importance for underground H2 storage, but requires further study. We report the first …
importance for underground H2 storage, but requires further study. We report the first …
Molecular Insights into the Wettability and Adsorption of Acid Gas–Water Mixture
B González-Barramuño, E Cea-Klapp… - The Journal of …, 2024 - ACS Publications
Sequestration of acid gas in geological formations is a disposal method with potential
economic and environmental benefits. The process is governed by variables such as gas …
economic and environmental benefits. The process is governed by variables such as gas …
Molecular insights into fluid-solid interfacial tensions in water+ gas+ solid systems at various temperatures and pressures
The fluid–solid interfacial tension is of great importance to many applications including the
geological storage of greenhouse gases and enhancing the recovery of geo-resources, but …
geological storage of greenhouse gases and enhancing the recovery of geo-resources, but …
Interfacial behaviors of the H2O+ CO2+ CH4+ C10H22 system in three phase equilibrium: A combined molecular dynamics simulation and density gradient theory …
The interfacial behaviors in H 2 O+ gas+ oil 3-phase systems are critical for CO 2 near-
miscible/immiscible flooding and sequestration processes but require further investigation …
miscible/immiscible flooding and sequestration processes but require further investigation …