Calphad

This data set contains thermodynamic database with thermodynamic functions (heat capacity, entropy and heat content) for 46 zeolites, their tabulated values and raw data used for its parameters optimization. It is valid for 0-1000 K. The layout of thermodynamic functions is based on Einstein-Planck functions sum; raw data files are designed for CpFit program. It also contains MATLAB implementation of the additive group contribution model for zeolites.

Supplementary materials which help to reproduce figures in the article using any plotting software.

1.) We are including additional SEM-EDS data from the study of "Phase equilibria and thermodynamic evaluation of Fe-Ti-V-O system in air". However, SEM-EDS data did not compare well to reported EPMA data in the manuscript, especially phase data of the Fe-Ti-V-O slag. We believe that the overlapping of V and Ti X-ray emission peaks might have contributed why SEM-EDS data did not compare well to EPMA data. 2.) The data from EPMA were normalized and included in the thermodynamic assessment of Fe-Ti-V-O system in air.

1.) We are including additional SEM-EDS data from the study of "Phase equilibria and thermodynamic evaluation of Ti-V-O system in air". However, SEM-EDS data did not compare well to reported EPMA data in the manuscript, especially phase data of the Ti-V-O slag. We believe that the overlapping of V and Ti X-ray emission peaks might have contributed why SEM-EDS data did not compare well to EPMA data. 2.) The data from EPMA were normalized and included in the thermodynamic assessment of Ti-V-O system in air.

Supplementary data for the Fe-V-O system in air from the study, Phase equilibria and thermodynamic evaluation of Fe-V-O system in air.

The liquidus lines in the silica rich area of the ternary SiO2-SrO-Al2O3 phase diagram were determined experimentally at 1723 K (1450°C), 1823 K (1550°C), and 1873K (1600°C) using the quenching technique. Quenched samples were analyzed using LOM, SEM and XRD. Based on the obtained results, the liquidus lines were constructed at the three temperatures. The sample compositions studied, the equilibrating temperature and the phases present are listed in this dataset.

The TDB file for the Ti–M (M = Mo, V, Nb, Cr, Al)systms obatained in this work

DFT-Based First-principles results of the enthalpy of formation of the bcc phase for Ti-X and Ti-X-Y systems

Constituent phases of the Ti-Fe-Zr ternary alloys annealed at 873 and 1173 K.