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Release Notes

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CaTCalc Update 2025

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Overview

  • Support and database development for viscosity and surface tension calculations of alloy liquid phases.

  • Improvements to atmosphere control calculations and chemical potential diagram calculations.

  • Expanded data for all databases.

 
Software Updates

  • CaTCalc

    • Viscosity and Surface Tension Estimation: Now supports estimation calculations for viscosity and surface tension (currently for metallic liquid phases only; ceramics are under development).

    • Atmosphere Control Calculation Enhancements: Simplified the setup of atmosphere conditions by allowing specification of gas pressure ratios (e.g., CO₂/CO, H₂O/H₂, NH₃/H₂, CH₄/H₂), in addition to oxygen partial pressure. Improvements make it easy to calculate diagrams like the Lehrer diagram.

    • Generalized Chemical Potential Diagram Calculation: Developed a new feature for calculating generalized chemical potential diagrams. This makes it easier to perform chemical potential diagram calculations using solution databases. Currently, it supports 2D display only.

    • Isoactivity Contours Calculation: Equipped with functionality to calculate isoactivity contours.

    • Low-Temperature Gibbs Energy Function Estimation Utility: Developed a utility for estimating Gibbs energy functions at low temperatures. (XE version only)

    • Miedema Estimation Module: Included a Miedema estimation module. (XE version only)

 
Features Under Development

  • Slag Viscosity and Surface Tension: Calculation and database development for slag viscosity and surface tension.

  • Cell Simulator and More.

 
Database Updates

  • Updated Databases

    • RICT-Sol, Cerm, Fe: Developed databases for viscosity and surface tension of metallic liquid phases.

    • RICT-Ceram: Expanded data for systems such as CuO-NiO, TiO₂-Er₂O₃, Cr₂O₃-Yb₂O₃, Cs₂O-ZrO₂, PbO-BaO-Fe₂O₃, Gd₂O₃-Cr₂O₃, Nd₂O₃-Cr₂O₃, Cr₂O₃-Dy₂O₃, Cr₂O₃-Sm₂O₃, Cr₂O₃-Eu₂O₃, BaO-CeO₂, Er₂O₃-BO, Er₂O₃-Cr₂O₃, ZrO₂-Er₂O₃, TiO₂-Er₂O₃, and Cr₂O₃-Lu₂O₃.

    • RICT-Salt: Expanded data for systems such as H₂O-NH₃, LiF-CrF₂, NaF-CrF₂, KF-CrF₂, CrF₂-CrF₃, CrF₂-ThF₄, NaCl-NH₄Cl, NaCl-AlCl₃, AxBr-SrBr₂, AxBr-BaBr₂, H₂O-NH₄Cl-NaCl, CaO-CaCl₂, H₂O-Ca(OH)₂, and H₂O-NaNO₃.

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CaTCalc Update 2024

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Overview

  • Released CaTPython, a Python program support module.

  • Released revised versions of Pure Substances, General Alloys (Sol), Oxides (Ceram), and Salt databases.

 
Software Updates

  • CaTPython: CaTPython is an interface module for utilizing CaTCalc's thermodynamic equilibrium calculation functions from Python programs. Please refer to the dedicated page for details.

  • CaTCalc

    • Ellingham Diagram Plotting: Added a function for setting up Ellingham diagram plots. While Ellingham diagrams can be generated with phase diagram calculations, we've made the condition settings much easier. It supports not only standard pure substance databases but also CALPHAD-based non-ideal solution databases, offering the advantage of more practical analysis using highly consistent parameters from the latter.

    • Bug Fixes and Improvements: Implemented various bug fixes, feature additions, and improvements.

    • Unified Label Display: Standardized the display of labels for each line in graphs; now, Ctrl + left-click will display the label. Consequently, the T₀-line now uses Ctrl + right-click.

    • Function, Console, and Macro Command Changes: Please note that there have been changes to Function, Console commands, and Macro commands. Refer to the manual for more details.

    • High-Quality PDF Output: For high-quality image file output, PDF is currently the best option in the graph-related module (TeeChart) used by CaTCalc. A dedicated command has been added to the menu for this purpose.

 
Features Under Development

  • Cell Simulator

  • Viscosity and Surface Tension Calculation Modules Both are under development for release in the next update.

 
Database Updates

  • Updated Databases

    • RICT-Pure 2024: Added over 100 pure substance data entries, including R₂Si₂O₇ and RAlO₃ (R: Rare earth elements).

    • RICT-Sol ver 3.0: Significantly improved with data additions, phase integration, and renaming.

    • RICT-Ceram ver 2.6: Added several sulfides, sulfates, and carbonates. Sulfides include CaS, MgS, FeS, MnS, CuS₀.₅; sulfates include Li₂SO₄, Na₂SO₄, K₂SO₄, CaSO₄; and carbonates include Li₂CO₃, Na₂CO₃, K₂CO₃. Please note that these are treated as trace components in slag; for accurate sulfide calculations, use RICT-Cerm, and for sulfate and carbonate systems, use RICT-Salt. Also, simultaneous use of Salt and Ceram has not yet been fully validated.

    • RICT-Salt ver 1.4: Added data for systems such as H₂O-NaOH-NaCl, H₂O-KOH-KCl, and ZnCl₂-NH₄Cl.

 

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CaTCalc Update 2023

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Overview

  • Added a dark mode style to the software.

  • Released a new Molten Salt database (Salt) and revised versions of the Oxide (Ceram), Hard Metal (Cerm), General Alloy (Sol), and Pure Substance (Pure) databases.

 
Software Updates

  • CaTCalc

    1. Dark Mode: Added several eye-friendly dark mode styles.

    2. 3-D Surface Scan: Improved the issue where isolated regions could not be detected in isothermal section diagrams.

    3. Formation-Target Calculation: Now supports calculations where the amount of the formed phase is specified. Since changes in phase amounts are generally discontinuous, we recommend obtaining an estimate from a continuous calculation first and then using that as an initial value for this function.

    4. Other Enhancements: Implemented various bug fixes and feature additions for Functions, Macros, and more.

 
Features Under Development

  • Python-Interface and Cell Simulator

  • Density, Viscosity, and Surface Tension Calculation Modules Both are currently under development for release in the next update.

 
Database Updates

  • New Database

    • RICT-Salt: Molten Salt Database. Contains thermodynamic parameters for pseudo-binary and some pseudo-ternary salt systems composed of 30 metal cations and 8 anions. A large number of optimized systems are included.

      • Cations: Ag-Al-Ca-Cr-Cs-K-Li-Mg-Na-Rb-Zn-La-Be-Sr-Ba-U-Y-Zn-Ni-Fe-Cr-Cu-Mn-Co-In-La-Ce-Pu-Th-Zr

      • Anions: F-Cl-Br-I-CO₃-NO₃-SO₄-OH

      • Database Composition: Phases: 428, Solutions: 78, Pure Substances: 347, Optimized Pseudo-Binary Systems: 485

  • Updated Databases

    • RICT-Sol 2.0, RICT-Cerm 2.0, RICT-Ceram 2.3

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