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 ([email protected]),
Hannes Stagge, M.Sc. ([email protected]),
Therea Kunz, M.Sc. ([email protected]),
Sina Ramsayer, B.Sc.
Institute of Chemical Engineering
Ulm University