We present a systematic study of the thermodynamic properties of a polydisperse fluid mixture. The size of the particles, σ , is assumed to be distributed according to a continuous distribution function fΣ(σ) , for which we have chosen a Γ -distribution. The interatomic potentials are given by a hard core repulsion plus an adjacent attractive tail in the form of a squarewell or a Yukawa potenti...

Thermodynamic properties of several lattice hard-sphere models were obtained from grand canonical histogram- reweighting Monte Carlo simulations. Sphere centers occupy positions on a simple cubic lattice of unit spacing and exclude neighboring sites up to a distance sigma. The nearestneighbor exclusion model, sigma = radical2, was previously found to have a second-order transition. Models with ...

The intermolecular interactions involved in oligosaccharide-protein recognition, binding and cleavage are complex. Elucidation of these complex interactions is important in order to understand the biochemical role these proteins play. Fluorescence spectroscopy is a very good method to study the binding between a substrate and receptor. A non-native form (E315L) of the Family 18 Chitinase from t...

The dynamic and thermodynamic properties of nanoclusters are studied in two different environments: the canonical and microcanonical ensembles. A comparison is made to thermodynamic properties of the bulk. It is shown that consistent and reproducible results on nanoclusters can only be obtained in the canonical ensemble. Nanoclusters in the microcanonical ensemble are trapped systems, and incon...

We consider the thermodynamics of adsorption of gases in porous solids from both the perspective of absolute properties which appear naturally in theoretical studies and that of excess properties which are measured in experiments. Our thermodynamic description starts by treating the gas (or gas mixture) plus porous solid system as a mixture to which we can apply solution thermodynamics. We show...