CalebBell / thermo

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
MIT License
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Need ability to flash with extra heat capacity (e.g. from catalyst or reactor mass) #105

Closed alexchandel closed 9 months ago

alexchandel commented 2 years ago

FlashVL supports flashing to a given H. But often (for example flashing after adding ∆Hrxn), one needs to add some additional heat capacity, for example from the catalyst or reactor mass.

But there's no mechanism to add extra substances that don't participate VLE (e.g. solids in thermal equilibrium).

A partial workaround is to multiply the ∆H by cp0 / (cp0 + extra_cp), where cp0 = current_eq.dH_dT_P(). But this is inaccurate if dH_dT_P() changes between the initial and final H.

Is it possible to flash with such extra substances in the existing API? If not, could you add it?

CalebBell commented 9 months ago

I don't plan to do this work, so I am closing this issue.