Continuous stirred-tank reactors (CSTR) are common tools used in System Chemistry and Origins of Life research. A common laboratory setup includes a chamber with input(s), output, and a stirrer. Reagents are supplied by tubing from syringes, and the concentrations of reagents are controlled by adjusting the flow rate from each syringe. By analyzing the solution from the output, one can draw conclusions about the process happening inside the reactor.
However, in some cases with complex systems, the concentrations of reagents (flow rates) need to be changed during the experiment. This program calculates the actual concentrations of reagents over time inside the multi-input CSTR, taking into account:
- CSTR parameters (size)
- Starting flow rates and concentrations of reagents
- Changes in flow rates during the experiments
Download files from this repository to your computer and install required Python packages with the command:
pip install -r requirements.txt
To run the programm use command:
python CSTR.py
The program has a user-friendly graphical interface. Fill the boxes in the opened window with all the parameters needed for the calculations:
- CSTR size
- Number of syringes
- Names of reagents
- Concentrations of reagents in each syringe
- Starting flow rates for each syringe
- Changes in flow rates made during the experiment
- Exact time of changes
- Total time of the experiment
- Name of the experiment
To start calculations, use the "Start calculations" button. As the output, you will receive an Excel file with the concentration-time data as well as a graph for this data.
To ensure that the program works correctly on your computer, you may run tests with the command:
pytest test_CSTR.py
This project was originally implemented as part of the Python programming course at the Weizmann Institute of Science taught by Gabor Szabo.