Aqueous Solutions Databases

Thermo-Calc Software offers two databases for applications to aqueous solutions: TCAQ3 and AQS2. TCAQ3 is better suited for applications to low PTX conditions (up to 100 bar, 350 °C, and 3 molality), and AQS2 is better suited for high PTX conditions.

Technical Information Sheet for TCAQ3

Technical Information Sheet for AQS2

TCAQ3 for Low PTX Conditions

TCAQ3 is a database suitable for calculating thermodynamic properties of complex aqueous solutions in low PTX conditions (up to 100 bar, 350 °C and 3 molality). The database is used in applications such as materials corrosion processes, hydro-metallurgy, aqueous chemistry, geochemistry, and environmental chemistry.

The aqueous solution phase in TCAQ3 is described by the SIT (Specific Interaction Theory) model.

PROPERTIES: Gibbs Energy
ELEMENTS: 75
ASSESSED PHASES: See the technical information sheet

TCAQ3 was developed to be used with Thermo-Calc and all available SDKs.

AQS2 for High PTX Conditions

AQS2 is a database suitable for calculating thermodynamic properties of complex aqueous solutions in high PTX (up to 5 kbar, 1000 °C, and 6 molality of equivalent NaCl at ambient PT conditions or higher concentrations at higher PT) conditions. It is used in applications such as materials corrosion processes, hydro-metallurgy, aqueous chemistry, geochemistry, and environmental chemistry.

The aqueous solution phase in AQS2 is described by the complete Revised HKF (Helgeson-Kirkham-Flowers) model.

PROPERTIES: Gibbs Energy
ELEMENTS: 82
ASSESSED PHASES: See the technical information sheet

AQS2 was developed to be used with Thermo-Calc and all available SDKs.

Predict Materials Corrosion Resistance with the Pourbaix Diagram Module

Both of the aqueous solutions databases are well suited to be used with the Pourbaix Diagram module, a module included in all Thermo-Calc installations that makes it easy to set up calculations that predict materials corrosion resistance. If used this way, the aqueous solutions databases require appended gas and solid phases from other available databases, for example, SSUB or SSOL.

Read about the Pourbaix Diagram Module

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