Calphad
ISSN: 0364--5916
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Datasets associated with articles published in Calphad
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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.
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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.
Data Types:
  • Tabular Data
  • Dataset
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.
Data Types:
  • Tabular Data
  • Dataset
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.
Data Types:
  • Tabular Data
  • Dataset
DFT-Based First-principles results of the enthalpy of formation of the bcc phase for Ti-X and Ti-X-Y systems
Data Types:
  • Tabular Data
  • Dataset
Constituent phases of the Ti-Fe-Zr ternary alloys annealed at 873 and 1173 K.
Data Types:
  • Tabular Data
  • Dataset