Nanoconfined gases, liquids and liquid crystals in porous materials

Abstract

We propose here to give an overview of gases and liquids adsorption in the materials of Institute Lavoisier (MIL)-101(Cr), MIL-53(Cr) and silica materials. We present some recent results of systems of interests such as the H₂ adsorption in MIL-101(Cr) and CO₂ and H₂S adsorption in the MIL-53(Cr) material. In addition, we will examine the sensitivity in water force field for water adsorption in hydrophilic and hydrophobic silica nanopores and we evaluate the Gay–Berne liquid crystal adsorption in the smooth and rough pores.

Keywords::

• adsorption
• GCMC, confinement
• molecular simulation, Gay–Berne liquid crystal

Acknowledgements

We are grateful to the Agence Nationale de la Recherche for its financial support through the program MUTINA (ANR 2011 BS09 002). We thank Prof. G. Maurin, Dr D. Morineau and Prof. A. Szymczyk for their helpful discussions.