Free energies and correlation functions of liquid and solid hard-sphere (HS) mixtures are calculated using the fundamental measure density functional theory. Using the thermodynamic perturbation theory the free energies of solid and liquid Lennard-Jones (LJ) mixtures are obtained from correlation functions of HS systems within a single theoretical approach. The resulting azeotrope- and spindle-...

Holly E Holmes, Frances Wiseman, James M O'Callaghan, Jack A Wells, Victor LJ Tybulewicz, Elizabeth MC Fisher, and Mark F Lythgoe Centre for Advanced Biomedical Imaging, University College London, London, Greater London, United Kingdom, Department of Neurodegenerative Disease, Institute of Neurology, London, Greater London, United Kingdom, MRC National Institute for Medical Research, London, Gr...

Representations of braid group obtained from rational conformal field theories can be used to obtain explicit representations of Temperley-Lieb-Jones algebras. The method is described in detail for SU(2) k Wess-Zumino conformal field theories and its generalization to an arbitrary rational conformal field theory outlined. Explicit definition of an associated linear trace operation in terms of a...

Monte Carlo simulation and theory are used to calculate excess thermodynamic properties of binary mixtures of Lennard-Jones chains. Chainlike molecules are formed by Lennard-Jones spherical sites that are tangentially bonded. This molecular model accounts explictly for the most important microscopic features of real chainlike molecules, such as n-alkanes: repulsive and attractive forces between...

An analytical equation of state is applied to calculate the thermodynamic properties for argon. Theequation of state is that of Song and Mason. It is based on a statistical-mechanical perturbation theory ofhard convex bodies and can be written as fifth-order polynomial in the density. There exist three temperaturedependentparameters: the second virial coefficient, an effective molecular volume,...

A method is proposed to compute the interfacial free energy of a Lennard-Jones system in contact with a structured wall by molecular dynamics simulation. Both the bulk liquid and bulk face-centered-cubic crystal phase along the (111) orientation are considered. Our approach is based on a thermodynamic integration scheme where first the bulk Lennard-Jones system is reversibly transformed to a st...

In Bartels–Lück [1] we introduced the concept of transfer reducible groups with respect to a family of subgroups. This definition is somewhat technical and recalled as Definition 0.4 below. We showed that groups that are transfer reducible over the family of virtually cyclic subgroups satisfy the Farrell–Jones Conjecture with coefficients in an additive category. For further explanations about ...