by proposing a predictive method with no adjustable parameter and by using infinite dilution activity coefficients of components in binary mixtures obtained from unifac model, the binary interaction parameters (k12) in van der waals mixing rule (vdwmr) and orbey-sandler mixing rule (osmr) have been evaluated. the predicted binary interaction parameters are used in peng-robinson-stryjek-vera equ...

We present the results from investigations on a series of binary chiraldopant liquid-crystalline mixtures. The racemic host materials possess tilted smectic phases with varying strengths of synclinic and anticlinic ordering (SmC and SmCalt phases respectively). The dopants used were either a strongly synclinic-favouring non liquid-crystalline chiral material (commonly used in FLC chiral-dopant ...

Molecular dynamics results for the dynamic Prigogine-Defay ratio are presented for two glass-forming liquids, thus evaluating the experimentally relevant quantity for testing whether metastable-equilibrium liquid dynamics is described by a single parameter to a good approximation. For the Kob-Andersen binary Lennard-Jones mixture as well as for an asymmetric dumbbell model liquid, a single-para...

The long wavelength limit of a recent microscopic phase-field crystal (PFC) theory of a binary alloy mixture is used to derive an analytical approximation for the segregation coefficient as a function of the interface velocity, and relate it to the two-point correlation function of the liquid and the thermodynamic properties of solid and liquid phases. Our results offer the first analytical der...

The critical Casimir force (CF) is observed in thin wetting films of a binary liquid mixture close to the liquid/vapor coexistence. X-ray reflectivity shows thickness (L) enhancement near the bulk consolute point. The extracted Casimir amplitude Delta(+-)=3+/-1 agrees with the theoretical universal value for the antisymmetric 3D Ising films. The onset of CF in the one-phase region occurs at L/x...

We investigate the self-organization of a binary mixture of similar sized rods and dipolar soft spheres by means of Monte-Carlo simulations. We model interparticle interactions by employing anisotropic Gay-Berne, dipolar and soft-sphere interactions. In the limit of vanishing magnetic moments we obtain a variety of fully miscible liquid crystalline phases including nematic, smectic and lamellar...

In previous work, we developed the crossover SAFT–VR equation of state (SAFT–VRX) for pure fluids by following the crossover approach proposed by Kiselev. The SAFT–VRX equation was shown to be very accurate in the prediction of PVT and phase behaviour for both nonassociating and associating fluids. In particular, simple expressions for the potential model parameters for the n-alkane homologous ...

A series of molecular dynamics simulations of simple liquid binary mixtures of soft spheres with disparate-mass particles were carried out to investigate the origin of the marked differences between the dynamic structure factors of some liquid binary mixtures such as the Li0.7Mg0.3 and Li0.8Pb0.2 alloys. It is shown that the facility for observing peaks associated with fast-propagating modes in...

Using field-theoretic techniques, we study the solvation of salt ions in liquid mixtures, accounting for the permanent and induced dipole moments, as well as the molecular volume of the species. With no adjustable parameters, we predict solvation energies in both single-component liquids and binary liquid mixtures that are in excellent agreement with experimental data. Our study shows that the ...