CaTCalc is a software to calculate thermochemical equilibrium of a multi-component system with almost full functionalities, such as phase diagram mapping, liquidus projection, etc., and is suitable for complex chemical equilibrium analyses on general systems.
It features reliable calculations by an algorithm that simultaneously settles two fundamental difficulties in the thermodynamic equilibrium calculation. The first one is related to singularity or loss of trailing digits in the numerical processing of the mass balance equations, and the other to the global minimization. Both difficulties must be solved, for instance, for ceramics system or when reaction with a gas is to be considered.
Some notable features include;
high dimensional liquidus projection on metallic, or nonmetallic system:
pseudo 4-D liquidus projection of CaO-Al2O3-SiO2-11%MgO system
Phase diagram of a reciprocal system: 1625 C isothermal diagram of Si3N4-AlN-Al2O3-SiO2 system
Scheil solidification simulation with back-diffusion of interstitial elements
Para-equilibrium phase diagram
CaTCalc version_1 (Basic) finished.
CaTCalc version_SE (Basic) go to Developer Web
"CaTCalc: New thermodynamic equilibrium calculation software", Kazuhisa Shobu, CALPHAD, 33 (2009), pp 279-287.
Developed at RICT (Research Institute of Computational Thermodynamics, Inc.) , Japan
Telephone: (81) 3-6717-4096, FAX: (81) 3-6717-4097
Materials Design Technology Co.,Ltd.
Level 28, Shinagawa Intercity Tower-A
2-15-1 Konan, Minato-ku,
Tokyo 108-6028 JAPAN