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FeOs: Defining parameters including kij for general fitting of cubic EoS #91

@ErichMace

Description

@ErichMace

Hello,

I would like to fit other cubic EoS to experimental data using FeOs. For this I have used as a starting point core_user_define_eos.ipynb and binary_parameter_optimization.ipynb. This works fine for PC-SAFT, but reading multiple *.json files including binary parameters for a general EoS is causing an error which I do not understand. Do you have any insights? I am working with the Peng-Robinson example to start. Please refer to the attachment and the following section of code.

Code

parameters = PengRobinsonParameters.from_multiple_json(
[
(['argon'], file_pure),
(['ammonia'], file_pure)
],
binary_path=file_binary,
)
parameters

Code-generated Error

RuntimeError Traceback (most recent call last)
~\AppData\Local\Temp\ipykernel_3844\3446048090.py in
----> 1 parameters = PengRobinsonParameters.from_multiple_json(
2 [
3 (['argon'], file_pure),
4 (['ammonia'], file_pure)
5 ],

RuntimeError: invalid type: map, expected f64 at line 19 column 25

T=374K.zip

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