Pourbaix diagramThermo-Calc can perform calculations for alloys as well as for pure elements. In a heterogeneous interaction system involving an aqueous solution, the speciation and partition in aqueous solution and various interacting phases (gas mixture, stoichiometric solids and solid solutions) depend on the acidity (pH) and electronic potential (Eh), besides other controlling factors (bulk composition, temperature, pressure and so on) in the system.
To present the speciation and partition in various phases as functions of pH and/or Eh conditions in an equilibrium state or dynamic process is very interesting to R&D in aqueous chemistry, electrolyte solution chemistry, materials corrosion, chemical engineering, geochemistry, environmental chemistry, etc. Databases for Aqueous solutions for simulation with Thermo-Calc are available as: TCAQ and AQS. 
Example of references are:Title: Transformation, stability and Pourbaix diagrams of high performance corrosion resistant (HPCRM) alloys.
Authors: Larry Kaufmana,, J.H. Perepezko b, K. Hildal b, J. Farmerc, D. Dayc, N. Yangd, D. Branagan e Published in: CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 33 (2009) 8999 Title: Computational Materials Design Author: Larry Kaufman Published in: JPEDAV, DOI: 10.1007/s11669-009-9563-5, 1547-7037 ASM International Read more about the Pourbaix module in Thermo-Calc Classic Users Guide |
Corrosion of Stainless SteelThe corrosion of stainless steel can be invetigated by the simulation of stability of phases such as for example Cr2O3 
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