The third-generation thermodynamic database that adopts the physics-based models over a wide temperature range is being developed in an attempt to increase predictability and reliability of CALPHAD (Calculation Phase Diagrams) method. As case study, this work used new reoptimize Cr, Ni, Cr–Ni system. For pure elements, Gibbs free energy solid phases was described by model considering various ph...

The boundaries of liquid and vapor coexistence fields at pressures 101.3 0.133 kPa were calculated based on the partial pressure values components in Al-Al2Se3 Al2Se3-Se systems. more volatile aluminum selenide selenium above systems determined by isothermal version boiling-point method. fewer numerical integration Gibbs–Duhem equation. integral thermodynamic functions formation evaporation sol...

We build and analytically calculate the Generalised Gibbs Ensemble partition function of integrable Soft Neumann Model. This is model a classical particle which constrained to move, on average over initial conditions, an $N$ dimensional sphere, feels effect anisotropic harmonic potentials. derive all relevant averaged static observables in (thermodynamic) $N\rightarrow\infty$ limit. compare the...

Abstract Gibbs manifolds are images of affine spaces symmetric matrices under the exponential map. They arise in applications such as optimization, statistics and quantum physics, where they extend ubiquitous role toric geometry. The variety is zero locus all polynomials that vanish on manifold. We compute these show low-dimensional. Our theory applied to a wide range scenarios, including matri...

CALPHAD models to compute the density and viscosity of four keystone systems related Molten Salt Reactor (MSR) technology have been optimized: NaCl-UCl3, LiF-ThF4, LiF-UF4, LiF-ThF4-UF4. Revised thermodynamic assessments all systems, using modified quasichemical formalism in quadruplet approximation for description liquid solutions, are reported. In case phase diagram mixing enthalpy data avail...

To determine the groundwater quality a total of twenty samples were collected from some villages Sirsa district, Haryana, India, which is one most important agricultural areas state. The in November 2016 different city Sirsa. suitability for irrigation was assessed by determining Sodium Absorption Ratio, % Na, Kelly's Index, Permeability index, EC, Chloro-alkaline indices and Residual Carbonate...