Add to ORKGWe find by examination of density profiles that carbon dioxide adsorbs on graphite in two distinct layers. We report the activity coefficient, entropy and enthalpy for CO2 in each layer using a convenient computational method, the Small System Method, thereby extending this method to surfaces. This opens up the possibility to study thermodynamic properties for a wide range of surface phenomena
International audienceDetailed interaction potential energy calculations are performed to determine ...
Three different activated carbons, namely Aquacarb 207EA (AQ), Organosorb-10 (OR-10) and Organosorb-...
In this study, we develop the equation describing the enthalpy of adsorption corresponding to the co...
AbstractWe find by examination of density profiles that carbon dioxide adsorbs on graphite in two di...
We find by examination of density profiles that carbon dioxide adsorbs on graphite in two distinct l...
We performed classical molecular dynamics (MD) simulation to understand the mechanism of CO2 adsorpt...
Thermodynamic equilibrium for adsorption means that the chemical potential of gas and adsorbed phase...
ABSTRACT: We present an experimental and theoretical study to provide further insight into the mecha...
Small system properties are known to depend on geometric variables in ways that are insignificant fo...
We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption...
We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption...
Extensive simulations of CO adsorption on graphite were carried out over a range of temperature to i...
Thermodynamic properties of C2H2 thin films adsorbed on (0001) surfaces of an exfoliated graphite su...
An adiabatic calorimeter has been constructed to measure heats of physical adsorption of gases on ex...
The adsorption of CO2 coupled to calorimetry is a state-of-the-art technique for characterizing the ...
International audienceDetailed interaction potential energy calculations are performed to determine ...
Three different activated carbons, namely Aquacarb 207EA (AQ), Organosorb-10 (OR-10) and Organosorb-...
In this study, we develop the equation describing the enthalpy of adsorption corresponding to the co...
AbstractWe find by examination of density profiles that carbon dioxide adsorbs on graphite in two di...
We find by examination of density profiles that carbon dioxide adsorbs on graphite in two distinct l...
We performed classical molecular dynamics (MD) simulation to understand the mechanism of CO2 adsorpt...
Thermodynamic equilibrium for adsorption means that the chemical potential of gas and adsorbed phase...
ABSTRACT: We present an experimental and theoretical study to provide further insight into the mecha...
Small system properties are known to depend on geometric variables in ways that are insignificant fo...
We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption...
We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption...
Extensive simulations of CO adsorption on graphite were carried out over a range of temperature to i...
Thermodynamic properties of C2H2 thin films adsorbed on (0001) surfaces of an exfoliated graphite su...
An adiabatic calorimeter has been constructed to measure heats of physical adsorption of gases on ex...
The adsorption of CO2 coupled to calorimetry is a state-of-the-art technique for characterizing the ...
International audienceDetailed interaction potential energy calculations are performed to determine ...
Three different activated carbons, namely Aquacarb 207EA (AQ), Organosorb-10 (OR-10) and Organosorb-...
In this study, we develop the equation describing the enthalpy of adsorption corresponding to the co...