"A simple molecular thermodynamic approach is applied to the study of the adsorption of gases of chain molecules on solid surfaces. We use a model based on the Statistical Associating Fluid Theory for Variable Range (SAFT-VR) potentials [A. Gil-Villegas, A. Galindo, P. J. Whitehead, S. J. Mills, G. Jackson, A. N. Burgess, J. Chem. Phys. 106 (1997) 4168] that we extend by including a quasi-two-dimensional approximation to describe the adsorption properties of this type of real gases [A. Martínez, M. Castro, C. McCabe, A. Gil-Villegas, J. Chem. Phys. 126 (2007) 074707]. The model is applied to ethane, ethylene, propane, and carbon dioxide adsorbed on activated carbon and silica gel, which are porous media of significant industrial interest. We...
A molecular thermodynamics approach has been developed in order to describe the adsorption of fluids...
With ever-increasing computer power and rapid developments in molecular theories, high-throughput co...
Dangerous gases arising from combustion processes must be removed from the air simply and cheaply, e...
"In the thermodynamic framework of coupled statistical associating fluid theory variable range (SAFT...
"A molecular-based approach for modelling mixtures adsorbed onto solid surfaces using the Statistica...
We present an extension of the SAFT-VR Mie approach to model adsorption of molecular fluids based on...
An empirical extension of the Statistical Associating Fluid Theory (SAFT-VR-Mie) is presented to tak...
La compréhension des phénomènes d’adsorption de gaz en présence d’eau dans des milieux confinés est ...
The accurate modelling of confined fluids has a significant impact in the design of new processes an...
This dissertation is about the molecular modeling of fluids adsorbed in disordered porous materials....
Adsorption occurs due to force interactions between a solid adsorbent surface and gaseous phase mole...
We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simu...
An integral equation derived using a statistical physics treatment by considering the adsorption ene...
The isotherms of a series of hydrocarbon compounds containing various functional groups and their fl...
We use a fast density functional theory (a 'slab-DFT') and the polydisperse independent ideal slit-p...
A molecular thermodynamics approach has been developed in order to describe the adsorption of fluids...
With ever-increasing computer power and rapid developments in molecular theories, high-throughput co...
Dangerous gases arising from combustion processes must be removed from the air simply and cheaply, e...
"In the thermodynamic framework of coupled statistical associating fluid theory variable range (SAFT...
"A molecular-based approach for modelling mixtures adsorbed onto solid surfaces using the Statistica...
We present an extension of the SAFT-VR Mie approach to model adsorption of molecular fluids based on...
An empirical extension of the Statistical Associating Fluid Theory (SAFT-VR-Mie) is presented to tak...
La compréhension des phénomènes d’adsorption de gaz en présence d’eau dans des milieux confinés est ...
The accurate modelling of confined fluids has a significant impact in the design of new processes an...
This dissertation is about the molecular modeling of fluids adsorbed in disordered porous materials....
Adsorption occurs due to force interactions between a solid adsorbent surface and gaseous phase mole...
We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simu...
An integral equation derived using a statistical physics treatment by considering the adsorption ene...
The isotherms of a series of hydrocarbon compounds containing various functional groups and their fl...
We use a fast density functional theory (a 'slab-DFT') and the polydisperse independent ideal slit-p...
A molecular thermodynamics approach has been developed in order to describe the adsorption of fluids...
With ever-increasing computer power and rapid developments in molecular theories, high-throughput co...
Dangerous gases arising from combustion processes must be removed from the air simply and cheaply, e...