Abstract
Pure fluids of hard heteronuclear dumbbells and linear symetric triatomics, and binary mixtures of these fluids with hard spheres at a hard structureless wall, are studied by Monte Carlo simulations. In addition to density profiles (angle-averaged wall/site pair correlation functions) of all atomic sites in each molecule, the average number density of sites in the first layer, and radial slices through the full one-particle correlation function of triatomics, are also calculated. Different patterns of packing of the dumbbells and triatomics in the mixtures are found, and their dependence on the state conditions is discussed. Finally, we derive the general expression relating the system pressure to the contact values of the wall/site correlation functions.