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chmarti1 avatar chmarti1 commented on June 19, 2024

The issue is that PYroMat's SO2 data set is only valid down to 300K, and 25C is outside of that range by 1.85C. The ig2 class SHOULD issue a warning, but it hasn't. Instead, it just returns 0 for enthalpy. You can verify this by typing
SO2.Tlim()
The Tlim() function will return a list with upper and lower temperature limits on the data set in the configured unit system.

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chmarti1 avatar chmarti1 commented on June 19, 2024

As a work-around, to FORCE PYroMat to extrapolate down to 25C, you can manually modify the data range inline. You'll be out of the recommended range for these polynomials, but only by 1.85C.

>>> SO2.data['Tlim']
[300.0, 1000.0, 5000.0]
>>> SO2.data['Tlim'][0] = 290.0
>>> so2.h(25)
array([-4633.3206084])

In the next version, I will add out-of-range warnings to the ig2 class. I'll also check to make sure the other classes also handle this error properly (I think do). I will also look to see whether it is worth it to transition to a different coefficient set for some of these ig2 species.

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