Thermodynamic Calculation Engines

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Navigation: Models ➔ TCE Models ➔ Thermodynamic Calculation Engines

Thermodynamic Calculation Engines (TCEs) TCE Add-Ons
TCE Functionality Overview TCE Species Mapping TCE Configuration Options AQSol Add-On ChemApp FACTSage Add-On PHREEQC Add-On OLI Add-On

Latest SysCAD Version: 21 September 2021 - SysCAD 9.3 Build 139.29552


Overview

Starting in SysCAD Build 138, significantly expanded capabilities for Pyrometallurgical, Hydrometallurgical and Water Treatment applications were introduced. This is achieved with ability to use specialist third-party Thermodynamic Calculation Engines (TCEs) and databases along side standard SysCAD Reaction Blocks, Gibbs Free Energy Reactors and Thermodynamic Calculations. Linking is accomplished via loading of multiple TCEs to enable multithreaded calculations. SysCAD species are automatically (or manually) mapped to TCE species by matching elemental composition, charge, and phase.

Multiple calculation modes are available, including full auto-reactors, side calculations, and direct calculations. Reactor mode modifies the exit stream composition, while side calculators operate as virtual sensors, reading the composition of streams and calculating equilibrium according to user-specified conditions. Direct calculations are a direct interface to the TCE software, allowing direct specification of compositions, temperatures, and pressures to perform a calculation. The latter is useful for interface testing and debugging.

In SysCAD Build 139, the use of these interfaces has been significantly expanded to enable use within commonly used unit operations, such as solvent extraction, evaporation, reverse osmosis, and more.

Requirements

Use of Thermodynamic Calculation Engine add-ons requires:

Implementation in SysCAD