Quirke N. (Ed.) Adsorption and Transport at the Nanoscale

Boca Raton: Taylor & Francis Group. – 2006. – 189 p. Materials with nanoporous surfaces are used widely in industry as adsorbents, particularly for applications where selective adsorption of one fluid component from a mixture is important. Nanostructured materials are also of current interest for use in nanofluidics devices. In view of their past, current and potential future importance it seems timely to collect together key articles on relevant aspects of computational methods and applications which underpin progress in this field.Adsorption and transport at the nanoscale
Modelling gas adsorption in slit-pores using Monte Carlo simulation
Effect of confinement on melting in slit-shaped pores: experimental and simulation study of aniline in activated carbon fibers
Synthesis and characterization of template mesoporous materials using molecular simulation
Adsorption/condensation of xenon in mesopores having a microporous texture or a surface roughness
Molecular simulation of adsorption of guest molecules in zeolitic materials: a comparative study of intermolecular potentials
Molecular dynamics simulations for 1:1 solvent primitive model electrolyte solutions
Computer simulation of isothermal mass transport in graphite slit pores
Simulation study of sorption of CO2 and N2 with application to the characterization of carbon adsorbents