Thermodynamic modelling of the Ca–O system including 3rd generation description of CaO and CaO2

Guillaume Deffrennes (ORCID 0000-0002-3752-2537), Noël Jakse, Cecilia M.S. Alvares, Ioana Nuta, Alain Pasturel, Alexandra Khvan, Alexander Pisch (ORCID 0000-0003-3451-5224)

Calphad 69 101764 (2020) · Elsevier BV

DOI: 10.1016/j.calphad.2020.101764

Data: JSON record · id doi:10.1016/j.calphad.2020.101764 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 45 released values
• assessment behind a TDB file: CaO-20Def-3g.tdb (Ca–O)

Systems

Ca–O

Evidence in ORCHID

45 values read from this paper (42 accepted), from 2 tables and 3 text passages.

Phase-registry phases citing it: phase:ca-o:b1-oxide, phase:ca-o:bcc-a2, phase:ca-o:cao2-c11a, phase:ca-o:fcc-a1, phase:ca-o:gas, phase:ca-o:hcp-a3, phase:ca-o:ion, phase:ca-o:liquid, phase:ca-o:o2gas

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 28 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (6)

• The third generation Calphad description of Al–C including revisions of pure Al and C (2021) [crossref_reference_list]
• Third-generation CALPHAD description of pure GeO2 at 1 atm (2021) [crossref_reference_list]
• Use of third generation data for the elements to model the thermodynamics of binary alloy systems: Part 2 – The critical assessment of data for the Pb-Sn system (2022) [crossref_reference_list]
• A third generation Calphad description of W–C including a revision of liquid C (2022) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic modeling of pure elements from 0 K with uncertainty quantification using PyCalphad and ESPEI (2026) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• Thermodynamic data for liquid Ca‐CaF₂ and Ca‐CaCl₂ slags (1985) [crossref_reference_list]
• An assessment of the Ca-Fe-O system (1990) [crossref_reference_list]
• The Ca−O (Calcium-Oxygen) system (1985) [crossref_reference_list]
• Thermodynamics of the Ca-CaO-CaF2 system (2001) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• PANDAT software with PanEngine, PanOptimizer and PanPrecipitation for multi-component phase diagram calculation and materials property simulation (2009) [crossref_reference_list]
• Thermodynamic evaluation and optimization of the (Ca + C + O + S) system (2009) [crossref_reference_list]
• Complete thermodynamic description of the Mg-Ca-O phase diagram including the Ca-O, Mg-O and CaO-MgO subsystems (2018) [crossref_reference_list]
• High‐temperature heat capacity and premelting of minerals in the system MgO‐CaO‐Al₂O₃‐SiO₂ (1991) [crossref_reference_list]
• Reinvestigation of the Solidification Point of CaO by Digital Pyrometry (1986) [crossref_reference_list]
• Thermal Properties of Alcaline-Earth-Oxides I. Specific heat measurements 1-3 Centre National de Recherches sur les Tres Basses Temperatures (1969) [crossref_reference_list]

Cites (values carry this citation) (4)

• Thermodynamic evaluation and optimization of the (Ca + C + O + S) system (2009) — 10 values [orchid_extraction]
• Complete thermodynamic description of the Mg-Ca-O phase diagram including the Ca-O, Mg-O and CaO-MgO subsystems (2018) — 10 values [orchid_extraction]
• Thermodynamic data for liquid Ca‐CaF₂ and Ca‐CaCl₂ slags (1985) — 1 values [orchid_extraction]
• Thermodynamics of the Ca-CaO-CaF2 system (2001) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:CaO-20Def-3g.tdb [orchid_literature_model_link]
• tdb:CaO-20Def-3g.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (1)

• Complete thermodynamic description of the Mg-Ca-O phase diagram including the Ca-O, Mg-O and CaO-MgO subsystems (2018) [citation+same-system]

Data papers used (4)

• Thermodynamic evaluation and optimization of the (Ca + C + O + S) system (2009) — 10 values [orchid_extraction]
• Complete thermodynamic description of the Mg-Ca-O phase diagram including the Ca-O, Mg-O and CaO-MgO subsystems (2018) — 10 values [orchid_extraction]
• Thermodynamic data for liquid Ca‐CaF₂ and Ca‐CaCl₂ slags (1985) — 1 values [orchid_extraction]
• Thermodynamics of the Ca-CaO-CaF2 system (2001) — 1 values [orchid_extraction]