chapter 1 Adsorption and transport at the nanoscale -- chapter 2 Modelling gas adsorption in slit-pores using Monte Carlo simulation -- chapter 3 Effect of confinement on melting in slit-shaped pores: experimental and simulation study of aniline in activated carbon fibers -- chapter 4 Synthesis and characterization of templated mesoporous materials using molecular simulation -- chapter 5 Adsorption/condensation of xenon in mesopores having a microporous texture or a surface roughness -- chapter 6 Molecular simulation of adsorption of guest molecules in zeolitic materials: a comparative study of intermolecular potentials -- chapter 7 Molecular dynamics simulations for 1:1 solvent primitive model electrolyte solutions -- chapter 8 Computer simulation of isothermal mass transport in graphite slit pores -- chapter 9 Simulation study of sorption of CO[sub(2)] and N[sub(2)] with application to the characterization of carbon adsorbents.