About the Aqueous Calculator
Left: Pourbaix diagram of Fe at 25°C. Right: Pourbaix diagram of Fe at 25°C and 1 bar of CO2 pressure.
Questions the Aqueous Calculator Can Help You Answer
The Aqueous Calculator Allows You to Calculate
Left: the CO₂ solubility in an aqueous solution containing 100 g/L of NaCl at a CO₂ partial pressure of 1 bar. Right: the corresponding impact on solution pH.
Predefined Template for Easy Set-Up
Setting up calculations in the Aqueous Calculator is fast and efficient. The included Aqueous Calculation template comes with predefined settings and aqueous-specific quantities, eliminating the need for manual configuration. Simply select the template, adjust any optional parameters, and start your calculations with confidence. This streamlined approach saves time and ensures consistency across your simulations.
Predefined settings in the Aqueous Calculation Template allow for fast, accurate corrosion analysis.
Databases
We recommend users use the Aqueous Solution Database (TCAQ4), which was developed to be fully optimized for the Aqueous Calculator. Benefits include, for example, that when using TCAQ4, there is no need to append gas or solid phases because the calculator handles everything automatically. The Aqueous Corrosion Calculator can also be used with TCAQ3, AQS2 or the free PAQ2 database, but it might require appending other databases containing, for example, metallic, oxide and hydroxide phases.
Pourbaix diagram for 0.001 mole austenitic steel with 7 at% Cr and 5 at% Ni, 3 mole NaCl, in 1 Kg H2O, at 200°C and 100 bar.
Resources to Learn More about the Aqueous Calculator
Potential-pH diagrams considering complex oxide solution phases for understanding aqueous corrosion of multi-principal element alloys
