Ammonia Cracking and Synthesis: Efficient Calculation of Chemical Equilibria by Artificial Neural Networks ANNH3
Short Abstract
The file conda_env.txt lists all used packages to run the training data generation and network training.
The following chart gives an overview over the available files:
| Folder | contains |
|---|---|
| figures | All figures used in the associated publication |
| lib_nets/GGW_calc | module for calculating equilibrium with conventional stoichiometric method |
| lib_nets/Nets | module for constructing and evaluating artificial neural network described in the associated publication |
| HSA_001_XXX/data | Erzeugung der Gleichgewichtsdaten durch thermodynamische Berechnung mittels Shomate-Gleichungen |
| HSA_001_XXX/evaluation | results depicted in associated publication |
| HSA_001_XXX/examples | simple example how to initialize a network from save file |
| HSA_001_XXX/timing | code to time the program execution times |
| HSA_001_XXX/nets | code for network training |
| model | all trained network parameters in .pt format; models ready for use |
Prof. Dr.-Ing. Robert Güttel (robert.guettel@uni-ulm.de),
Hannes Stagge, M.Sc. (hannes.stagge@uni-ulm.de),
Therea Kunz, M.Sc. (theresa.kunz@uni-ulm.de),
Sina Ramsayer, B.Sc.
Institute of Chemical Engineering
Ulm University