error while running example 3_pure_fluid_calculations in GC_SAFT--Gamma-Mie example

Question

error while running example 3_pure_fluid_calculations in GC_SAFT--Gamma-Mie example

funkvps opened this issue a year ago · comments

error like below

C:\Users\cools\AppData\Roaming\Python\Python311\site-packages\sgtpy\sgt\sgtpure.py:65: RuntimeWarning: invalid value encountered in sqrt
tenint = np.nan_to_num(np.sqrt(2*dOm))

gustavochm · Answer 1 · Mon May 29 2023 04:41:04 GMT+0800 (China Standard Time)

Hey funkvps,

Could you provide the script to reproduce that error?

Gustavo

funkvps · Answer 2 · Mon May 29 2023 07:11:20 GMT+0800 (China Standard Time)

Hello, I'm just running the example from sgtpy. As attached.
3_pure_fluid_calculations.zip

gustavochm · Answer 3 · Mon May 29 2023 15:04:54 GMT+0800 (China Standard Time)

I see, I just checked the example and that warning is due to the Grand Potential Difference being negative. This usually happens when the liquid and vapour phases do not have exactly the same chemical potential (due to tolerance errors). The warning doesn't affect the result due to the np.nan_to_num function.