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- The time horizon reduction step as presently written does nothing for the adsorptions simulation because it occurs after
time_setis created. It probably goes into effect for the desorption step. - A property is currently being created in a way that IDAES does not like, causing a depreciation warning. This is an easy fix, because an example about how to include it properly is right below it.
- There are presently a lot of badly scaled equations
- There are unit errors in the equations. Unit errors in the time discretization equations are a known issue, but there are also errors in reaction rate equations, etc.
- The final time used to index Pyomo elements comes from the PETSc time variable. Theoretically, these are supposed to be the same, but whatever tolerance PETSc uses is weaker than the one Pyomo uses, so you get a
KeyErrorwhen the code tries to use an index of101810.60189669262when Pyomo is expecting one of101810. - The
heat_computationcalculations need an overhaul. The spatial integral used to get the instantaneous heat input to the adsorption column is declared after theContinuousSetis discretized, which is undefined behavior. The time integral used to get the total heat input over all time is done by creating a second time set which is then discretized, which is a very awkward procedure. @blnicho recommends not using PyomoIntegralobjects anyway. I recommend embedding the spatial integral in theFixedBed1Dobject with a manual quadrature rule as aDerivativeVarof the total heat added, then allowing PETSc to integrate it while it integrates everything else.
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