Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model

ternary phase diagram modeling of chiral medetomidine salts using nrtl-sac model

experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...

ternary phase diagram for polymer/ solvent/ supercritical-CO2by sanchez-lacombe model

Phase diagram of chiral biopolymer Wigner crystals.

We study the statistical mechanics of counterion Wigner crystals associated with hexagonal bundles of chiral biopolymers. We show that, due to spontaneous chiral symmetry breaking induced by frustration, these Wigner crystals would be chiral even if the biopolymers themselves were not chiral. Using a duality transformation of the model onto a "spin-charge" Hamiltonian, we show that melting of t...

The QCD Phase Diagram from Chiral Approaches

I show an updated QCD phase diagram with recent developments from chiral effective theories and phenomenological models. Expected signals of a QCD critical point accessible in heavy-ion collisions are also discussed. In particular, non-monotonic behavior of fluctuations associated with conserved charges is focused on.

First Principles Modeling of the Temperature Dependent Ternary Phase Diagram for the Cu-Pd-S System

As an aid to the development of hydrogen separation membranes, we predict the temperature dependent phase diagrams using first principles calculations combined with thermodynamic principles. Our method models the phase diagram without empirical fitting parameters. By applying thermodynamic principles and solid solution models, temperature-dependent features of the Cu-Pd-S system can be explaine...

Phase diagram for mixed ternary alloy from evolutionary optimization

There is an increasing interest in studying still more complicated magnetic systems. A group of ternary mixed alloys is, among them, a point of interest for as well historical as scientific reasons. The most known material belonging to this group is the famous pigment Prussian blue. The Prussian blue analogues may be characterized by special properties, like the existence of compensation points...