About FactSage
FactSage™, one of the largest fully integrated database computing systems in chemical thermodynamics in the world, was introduced in 2001 and is the fusion of the FACT-Win/F*A*C*T and ChemSage/SOLGASMIX thermochemical packages. FactSage is the result of over 20 years of collaborative efforts between Thermfact/CRCT (Montreal, Canada) and GTT-Technologies (Aachen, Germany). Because of its high degree of user-friendliness, FactSage provides the proverbial fingertip access to Computational Thermochemistry. A regular upgrade schedule ensures that new technical and user friendly interface features are added.
FactSage Product Portfolio and Services
FactSage 8.3 has been released in October/2023 (latest version)
ChemApp for Python is developed by GTT-Technolgies, FactSage is developed by Thermfact/CRCT and GTT-Technologies. Both products are available from GTT-Technologies.
The calculation features of FactSage are used in diverse areas of applications and provide a flexible platform for the solution of complex thermochemical problems. FactSage is extensively used all over the world.
The thermodynamic databases integrated in FactSage are based on CalPhaD (Calculation of Phase Diagrams) assessments and span the entire chemical space from oxides to metallic alloys or aqueous systems.
We regularly conduct training courses for FactSage for both beginners and advanced users.
It is also possible to learn how to use FactSage by the FactSage-Teach self-tuition package.
GTT-Technologies product portfolio
ChemApp – the thermochemistry library for your software
ChemApp provides the powerful calculation capabilities of the ChemSage Gibbs energy minimiser (the same one that powers the FactSage modules Equilib, Phase Diagram and OptiSage) in the form of a programmer’s library. It consists of a rich set of subroutines which provides all the necessary tools for the calculation of complex multicomponent, multiphase chemical equilibria and the determination of the associated thermodynamic properties of the system, its phases, and their constituents. Potential applications for the use of ChemApp are almost limitless and can cover an extremely diverse range of applications. Two distinctly different groups of applications of ChemApp are possible:
- Using it for the development of application-specific programs; for example, for handling repetitive complex equilibrium calculations, for analysis, and for process control in well-defined technological areas,
ChemApp is available for a wide variety of programming languages (e.g. Fortran, C, C++, Visual Basic®, Delphi®) and hardware platforms/operating systems (e.g. Windows, Linux, Unix). ChemApp reads ChemSage (.dat and .cst) thermochemical data files (note, .cst files can be generated by the FactSage Equilib module).
For detailed information on ChemApp features, ChemApp “light” versions available for download, publications and ongoing projects together with an online version of the programmer’s manual, with complete references to all ChemApp subroutines and dozens of code examples in both FORTRAN and C, plus several worked examples, consult the ChemApp section on GTT-Technologies’ web site.
ChemApp – the thermochemistry library for your software
ChemApp provides the powerful calculation capabilities of FactSage in the form of a programmer’s library. ChemApp for Python interfaces this programmer library with Python. Additionally, it contains a set of pythonesque objects and approaches to quickly prototype and implement thermodynamic applications. It opens the dynamic playground of Python and the powerful free tools that come with Python.
The present version of ChemApp for Python (8.2.3) requires Windows OS to be installed and used. The supported Python versions are 3.8, 3.9 and 3.10.
The package is conceptualized into a basic and a friendly layer. The basic layer closely resembles the C interface of ChemApp and should enable most developers knowledgeable about it to jump right into calculations. The friendly module takes the approach of giving a object oriented, convenient way of interacting with calculations with also providing typically multi-command steps of ChemApp calculations into single, user-friendly and readable routine calls. You can have a look at two example Jupyter Notebooks that show the basic module and the elevated functionality of the friendly module in use:
Documentation
Would you like to take a look at the documentation for ChemApp for Python? The full documentation is accessible here.
Light version
ChemApp for Python is available as a free of charge ‘light’ version that is limited to small systems and open databases to get to know the functionality.
You can contact us regarding your inquiry and we will get back to you as soon as possible! Visit our contact page here!
To know more-
ChemSheet – the spreadsheet tool for process simulation
ChemSheet combines the flexibility and practicality of spreadsheet applications with rigorous, multi-phase thermodynamic calculations. Each application is defined as an independent worksheet in Microsoft Excel®, in which the entire simulation can be done.” Nowadays, everybody uses spreadsheet programs like Microsoft Excel to collect information on e.g. process conditions (input, output, temperatures…). The great flexibility of spreadsheet programs allows easy basic physical modelling, e.g. of heat transfer, material transport or reaction kinetics. ChemSheet is an Add-In for Microsoft Excel that adds the ability of thermodynamic calculations by linking to ChemApp. This gives the user the ability to combine physical modelling in Excel with thermodynamic modelling in ChemApp. ChemApp is GTT-Technologies’ programmer’s library for the calculation of multicomponent, multiphase chemical equilibria and their associated energy balances.
The Excel Add-in ChemSheet was originally developed by VTT Chemical Technology, Finland, in cooperation with GTT-Technologies. Check out the various application examples that show how physical modelling and ChemApp calculations can be combined in a single Excel file!
ChemSheet is also available as ChemSheet Light – the free demo version of ChemSheet! Please find the package here
See ChemSheet Model calculation shown as animated gif files to see how easy it is to do different kind of case studies with ChemSheet.
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