Interfacial properties of the hexane+ carbon dioxide+ brine system in the presence of hydrophilic silica
Molecular dynamics simulations were performed to understand the interfacial properties of
brine (up to 5.4 mol/kg NaCl) and brine+ silica systems in the presence of CO2, hexane, and …
brine (up to 5.4 mol/kg NaCl) and brine+ silica systems in the presence of CO2, hexane, and …
Molecular dynamics simulation study of carbon dioxide, methane, and their mixture in the presence of brine
We perform molecular dynamics simulation study of CO2, methane, and their mixture in the
presence of brine over a broad range of temperature (311–473 K), pressure (up to about …
presence of brine over a broad range of temperature (311–473 K), pressure (up to about …
Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures
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
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 …
Thin water films enable low-temperature magnesite growth under conditions relevant to geologic carbon sequestration
Injecting supercritical CO2 (scCO2) into basalt formations for long-term storage is a
promising strategy for mitigating CO2 emissions. Mineral carbonation can result in …
promising strategy for mitigating CO2 emissions. Mineral carbonation can result in …
Phase equilibrium modeling for carbon dioxide Capture and Storage (CCS) fluids in brine using an electrolyte association equation of state
A modified electrolyte cubic plus association equation of state (eCPA EoS) is proposed here
as a suitable model for CO 2 Capture and Storage (CCS) fluids to model CO 2, CH 4, H 2 S …
as a suitable model for CO 2 Capture and Storage (CCS) fluids to model CO 2, CH 4, H 2 S …
Critical water coverage during forsterite carbonation in thin water films: activating dissolution and mass transport
In geologic carbon sequestration, CO2 is injected into geologic reservoirs as a supercritical
fluid (scCO2). The carbonation of divalent silicates exposed to humidified scCO2 occurs in …
fluid (scCO2). The carbonation of divalent silicates exposed to humidified scCO2 occurs in …
A generalized equation of state for associating fluids in nanopores: Application to CO2-H2O, CH4-H2O, CO2-CH4, and CO2-CH4-H2O systems and implication for …
A modified cubic-plus-association (CPA) equation of state is presented by considering the
influences of pore sizes and intermolecular interactions. Additionally, the van der Waals …
influences of pore sizes and intermolecular interactions. Additionally, the van der Waals …
Low temperature and limited water activity reveal a pathway to magnesite via amorphous magnesium carbonate
Forsterite carbonated in thin H2O films to magnesite via amorphous magnesium carbonate
during reaction with H2O-bearing liquid CO2 at 25° C. This novel reaction pathway contrasts …
during reaction with H2O-bearing liquid CO2 at 25° C. This novel reaction pathway contrasts …
Effect of ion valency on the properties of the carbon dioxide–methane–brine system
Molecular dynamics simulations and theoretical analysis were carried out to study the bulk
and interfacial properties of carbon dioxide–methane–water and carbon dioxide–methane …
and interfacial properties of carbon dioxide–methane–water and carbon dioxide–methane …