Thermodynamic Optimization and Calculation of the LaCl3-CaCl2 System

A thermodynamic evaluation of the binary LaCl3-CaCl2 system was carried out by using CALPHAD method. The Modified Quasihelical Model was defined in order to describe the Gibbs energies of the liquid phases, and the model parameters were optimized from the experimental thermodynamic and phase diagram data. The phase diagram and the enthalpy of mixing of LaCl3-CaCl2 liquid were calculated. For LaCl3-CaCl2, a calculated eutectic point was observed at 924.82 K, 34.8 mol. % LaCl3. The calculated enthalpy of mixing is exothermic, the minimum was found at approximately 30 mol. % LaCl3. The thermodynamic properties and the phase diagram calculated from the optimized parameters agree well with the experimental data.

Thermodynamic assessment of Hafnium Iridium binary system

The Hf–Ir system has been thermodynamically modeled by the CALPHAD approach. Hf2Ir, αHfIr, βHfIr, γHfIr (high temperature phase) and HfIr3 which have a homogeneity range, were treated as the formula (Hf,Ir)x:(Ir,Hf)1−x by a two-sublattice model with a mutual substitution of Hf and Ir in both sublattices.Hf5Ir3 has been treated as a stoichiometric compound while a solution model has been used for the description of the FCC (Ir) solid solution. Additionally, two different models describing the excess Gibbs energy for the liquid and for the solid solutions (BCC, FCC and HCP) were used and their predictions are compared. The calculations based on the thermodynamic modeling are in good agreement with the phase diagram data and experimental thermodynamic values available in the literature.

Thermodynamic modeling of the Hf-N system

Hf-N based alloys have been widely used and studied in the fields of electronic devices and cutting tools industry. A thermodynamic description of this system is essential for further materials development. By means of CALPHAD method, a thermodynamic modeling of the Hf-N system was carried out based on the available phase diagram data as well as thermodynamic property data. The Fcc phase is modeled as (Hf, Va)1(N, Va)1 to cover the composition range since the solubility of nitrogen in Fcc phase is reported up to about 52 at.%. A set of self-consistent thermodynamic parameters for the Hf-N system has been obtained. The computed phase diagrams and thermodynamic quantities using the present parameters agree well with the experimental data.

Thermodynamic Assessment of SiO2-ZrO2 Binary System

The SiO2-ZrO2binary system has been thermodynamically assessed with CALPHAD approach. The substitutional solution model is adopted for liquid. A set of self-consistent parameters capable of reproducing the corresponding experimental phase diagram data and liquidus immiscibility data has been obtained.

Thermodynamic Assessment of B2O3-SiO2 Binary System

The B2O3-SiO2binary system has been thermodynamically reassessed with CALPHAD approach. The substitutional solution model is adopted for liquid. A set of self-consistent parameters capable of reproducing the corresponding experimental phase diagram data and subliquidus immiscibility data has been obtained.

The Phase Diagram of Butylated Hydroxytoluene and Paracresol System

The phase diagram was experimentally determined by measuring the melting process for butylated hydroxytoluene (BHT)/paracresol system with differential scanning calorimeter (DSC). It was confirmed that this system is a binary eutectic system. Experimental results showed that the binary system is completely miscible in the liquid state and completely immiscible in the solid state. The compositions of the eutectic point were 28.37/ 71.63(BHT /Paracresol, mass percent) in the T-X phase diagram. The phase diagram data was modeled by different models, and it was found that Wilson model give better description of the experimental data.