We review recent progress made concerning the modelling of equilibrium gas mixture adsorption in activated carbons. Much of the discussion focuses on modern statistical mechanical methods, such as classical density functional theory and Monte-Carlo simulation, as well as the surface models employed, i.e. the surface characterisation, and we confine our attention to work that has been compared quantitatively with experiment. We will see that for less demanding scenarios, i.e. relatively simple gas mixtures adsorbed at supercritical temperatures, current methods are satisfactory. But further developments in our models and theories are probably needed to describe the adsorption of more complex adsorbates such as those involving water at room t...
Adsorption is an industrially important process that remains a vibrant and continuing area of resear...
We had performed GCMC simulations to study the adsorption isotherms, the isosteric heats of argon, m...
This thesis is concerned with the molecular simulation of adsorption on model heterogeneous carbons....
We review recent progress made concerning the modelling of equilibrium gas mixture adsorption in act...
We use a fast density functional theory (a 'slab-DFT') and the polydisperse independent ideal slit-p...
We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simu...
We use a fast density functional theory (a 'slab-DFT') and the polydisperse independent ideal slit-p...
We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simu...
In this paper, the author reports a thermodynamic framework for understanding the surface – energy a...
The GCMC technique is used for simulation of adsorption of CO2-CH4, CO2-N2 and CH4-N2 mixtures (at 2...
Accurate prediction of the adsorption properties of fluid mixtures in equilibrium with surfaces and/...
In this article, a nanoporous carbon model based on units of polyaromatic molecules with different n...
In this paper, we present the results of the prediction of the high-pressure adsorption equilibrium ...
We analyse the adsorption of carbon dioxide and several light alkenes and alkanes on Kureha active c...
Adsorption is an industrially important process that remains a vibrant and continuing area of resear...
We had performed GCMC simulations to study the adsorption isotherms, the isosteric heats of argon, m...
This thesis is concerned with the molecular simulation of adsorption on model heterogeneous carbons....
We review recent progress made concerning the modelling of equilibrium gas mixture adsorption in act...
We use a fast density functional theory (a 'slab-DFT') and the polydisperse independent ideal slit-p...
We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simu...
We use a fast density functional theory (a 'slab-DFT') and the polydisperse independent ideal slit-p...
We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simu...
In this paper, the author reports a thermodynamic framework for understanding the surface – energy a...
The GCMC technique is used for simulation of adsorption of CO2-CH4, CO2-N2 and CH4-N2 mixtures (at 2...
Accurate prediction of the adsorption properties of fluid mixtures in equilibrium with surfaces and/...
In this article, a nanoporous carbon model based on units of polyaromatic molecules with different n...
In this paper, we present the results of the prediction of the high-pressure adsorption equilibrium ...
We analyse the adsorption of carbon dioxide and several light alkenes and alkanes on Kureha active c...
Adsorption is an industrially important process that remains a vibrant and continuing area of resear...
We had performed GCMC simulations to study the adsorption isotherms, the isosteric heats of argon, m...
This thesis is concerned with the molecular simulation of adsorption on model heterogeneous carbons....