Browsing by Subject "Adsorption"

Now showing items 1-3 of 3

Application of the fundamental measure density functional theory to the adsorption in cylindrical pores

Jiménez Blas, Felipe; Vega, Lourdes F.; Bonet Ávalos, Josep; Figueroa-Gerstenmaier, Susana (AIP Publishing, 2003)

In this work we have implemented the fundamental-measure density functional theory due to Kierlik and Rosinberg to describe the adsorption of Lennard-Jones molecules in cylindrical pores. The accuracy of the theory in ...
Extension of the Test-Area methodology for calculating solid-fluid interfacial tensions in cylindrical geometry

Jiménez Blas, Felipe; Mendiboure, B. (AIP Publishing, 2013)

We extend the well-known Test-Area methodology of Gloor et al. [J. Chem. Phys. 123, 134703 (2005)], originally proposed to evaluate the surface tension of planar fluid-fluid interfaces along a computer simulation in the ...
Structural study of water/alcohol mixtures adsorbed in MFI and MEL porosils

Gómez Álvarez, Paula; González Noya, Eva; Lomba, Enrique (Elsevier, 2022-10)

Ethanol and other biofuels produced during biomass conversion must be separated from the fermentation broth (mainly water) before being used as a fuel. This can be addressed by adsorption-based separation using porous ...

Now showing items 1-3 of 3

Application of the fundamental measure density functional theory to the adsorption in cylindrical pores

Jiménez Blas, Felipe; Vega, Lourdes F.; Bonet Ávalos, Josep; Figueroa-Gerstenmaier, Susana (AIP Publishing, 2003)

In this work we have implemented the fundamental-measure density functional theory due to Kierlik and Rosinberg to describe the adsorption of Lennard-Jones molecules in cylindrical pores. The accuracy of the theory in ...
Extension of the Test-Area methodology for calculating solid-fluid interfacial tensions in cylindrical geometry

Jiménez Blas, Felipe; Mendiboure, B. (AIP Publishing, 2013)

We extend the well-known Test-Area methodology of Gloor et al. [J. Chem. Phys. 123, 134703 (2005)], originally proposed to evaluate the surface tension of planar fluid-fluid interfaces along a computer simulation in the ...
Structural study of water/alcohol mixtures adsorbed in MFI and MEL porosils

Gómez Álvarez, Paula; González Noya, Eva; Lomba, Enrique (Elsevier, 2022-10)

Ethanol and other biofuels produced during biomass conversion must be separated from the fermentation broth (mainly water) before being used as a fuel. This can be addressed by adsorption-based separation using porous ...