The open source thermo-kinetic calculator (TKC) initiated by Tobias Holzmann.
- Tobias Holzmann (inventor and main developer)
- None
This open source projects is directed to all people who want to deal with detailed chemical reactions. The repository gives one the freedom to use detailed chemistry in any appliation. The application consists of different libraries which handles thermodynamics and chemistry data while using gas kinetic theory.
Additionally, the repository shares ready to use applications for:
- Transient ideal-homogeneous reactors calculations
- Steady-State flamelet calculator
- Others will follow based on the interested
If one wants to use thermo-kinetic calculations, there are already a wide range of applications and libraries available such as the Cantera and FlameMaster projects. However, in the year 2014, Tobias was investigating a lot into the flamelet model using OpenFOAM. For that purpose, only the binary flamelet generator built by the CRECK-Modeling group from Milano were available and Tobias was too lazy to investigate into Cantera or FlameMaster. However, the main driving force was that Tobias wanted to get more familiar with implementing theory into c++ and also wanted to increase his c++ knowledge during his Ph.D.
Since 2014, Tobias was working a lot on the code only during his spare time. Since 2017, the project was not further investigated as time was limited and other things were more important. In 2020, Tobias reinvestigated into the code, changed and re-organized a lot of stuff as well as made a huge simplification.
The thermo-kinetic library consists of different classes that are of up to date and old (depreciated). Right now the only classes are of interest:
- src/definitions
- src/manipulation
- src/thermoKinetics
- src/mathematics/tensors All other classes will be used and updated in future or removed.
Adding the homogeneouse reactor calculator and all relevant classes
- Feel free to compile it where ever you want, but normally its nice to have a fixed folder for user compiled stuff
- Make a new folder
mkdir -p $HOME/yourLocation- Switch to the new folder
cd $HOME/yourLocation- Clone the repository to the new folder
git clone https://github.com/shor-ty/thermoKineticCalculator.git thermoKineticCalculator- Switch to the repository directory
cd thermoKineticCalculator- Compile the libraries
cd src
make- Try some examples (XY has to be replaced by the folder and application name)
cd ../examples/XY
make
./XY