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zmeri / PC-SAFT

Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms
GNU General Public License v3.0
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regarding pcsaft.flashTQ #111

Closed PPG2889 closed 11 months ago

PPG2889 commented 11 months ago

Hi,

Its regarding pcsaft.flashTQ() code.

Screenshot 2023-10-20 161658

You've selected a methane-benzene binary system as a test case for the flashTQ() code. Surprisingly, the code executes successfully for only the initial three mole fraction values (0.025, 0.0502, 0.0823) at a temperature of 421.05 K. Unfortunately, for all other mole fraction values, the code encounters issues.

I've also cross-verified the code with experimental data from other sources for a similar system, and the problem persists. It's imperative that we investigate the root cause of this issue. I kindly request your assistance in identifying and resolving the underlying problem within the code.

zmeri commented 11 months ago

This was already discussed in issue #98.