Special Issue on Thermophysical Properties of Fluid Mixtures

First principles predictions of thermophysical properties of refrigerant mixtures.

We present pair potentials for fluorinated methanes and their dimers with CO(2) based on ab initio potential energy surfaces. These potentials reproduce the experimental second virial coefficients of the pure fluorinated methanes and their mixtures with CO(2) without adjustment. Ab initio calculations on trimers are used to model the effects of nonadditive dispersion and induction. Simulations ...

New models for predicting thermophysical properties of ionic liquid mixtures.

Potential applications of ILs require the knowledge of the physicochemical properties of ionic liquid (IL) mixtures. In this work, a series of semi-empirical models were developed to predict the density, surface tension, heat capacity and thermal conductivity of IL mixtures. Each semi-empirical model only contains one new characteristic parameter, which can be determined using one experimental ...

Special Issue

Special Issue on EMERGENT PROPERTIES OF COMPLEX SYSTEMS

The generation of complex entities with advantageous behaviours beyond our manual design capability requires long-term incremental evolution with continuing emergence. In this paper, we argue that artificial selection models, such as traditional genetic algorithms, are fundamentally inadequate for this goal. Existing natural selection systems are evaluated, revealing both significant achievemen...

Thermodynamic properties of polydisperse fluid mixtures

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...