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The parameters are evaluated by optimizing the fit of the model to all the information, also involving coexisting phases. The thermodynamic properties of each phase are then described with a mathematical model containing adjustable parameters.
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With the CALPHAD method one collects all experimental information on phase equilibria in a system and all thermodynamic information obtained from thermochemical and thermophysical studies. It is thus possible to calculate a phase diagram by first assessing the thermodynamic properties of all the phases in a system. The CALPHAD approach is based on the fact that a phase diagram is a manifestation of the equilibrium thermodynamic properties of the system, which are the sum of the properties of the individual phases. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Phase diagrams are a very powerful tool for predicting the state of a system under different conditions and were initially a graphical method to rationalize experimental information on states of equilibrium. phases) are stable and regions where two or more of them coexist. It shows the regions where substances or solutions (i.e. An equilibrium phase diagram is usually a diagram with axes for temperature and composition of a chemical system. WikiMili CALPHAD Last updated November 30, 2021ĬALPHAD stands for CALculation of PHAse Diagrams, a methodology introduced in 1970 by Larry Kaufman.