Thanks for the help.
I am swamped with another project right now. But I will follow up this week end.
Pierre

Hi Peter. You still haven't solved the problem that f doesn't find any root for the initial conditions you propose, so the 3rd and 4th rows are zero. In addition, the way in which you build the range for the values of pz(1) and pz(2) does not seem adequate, since its limits depend on N, and it should not be like that (only the intermediate points should depend on N, not both ends of the interval). To save the data to a file, "execute" the command outside of the loop, ie, set exportData(...) = ... at the worksheet level, and not in the loop. Finally, the use of try ... on error is not particularly useful for numerical computation problems, and is actually a convenient and quick way of avoiding actual error handling, as well as being a lousy recommendation for this particular case.

Other problems would also be that you use some subscripts that are units (in blue) or that to graph you must use a double index on the MTX matrix, that is, something like augment(transpose(row(MTX,4)),transpose(row( MTX,5))), but the fundamental thing is that you establish the domain on which you want to calculate and then what are your seed or guess values. Since I do not know the thermodynamics that you are applying in this new version, I am not in a position to recommend any.

Best regards.
Alvaro.

Thank you for your contributions Alvaro and Jean.

I understand better the problem.
I had issues with Mathcad and I wanted to tried another SW as a sanity check.
The approach is occasionally successful on Mathcad. But it's certainly the same challenge.

I need to clean up my programs a bit and see if I can get a good dataset again.
Also, I got the data export working.

Give me a bit a time to digest the new feedbacks.

Alvaro, I am not sure I got your comment right, but the solutions for the corner values are known.
It's 0 and 1 (pure elements).

FYI, there is an alternative algorithm to get to the solution.
It seems more popular, maybe for a good reason.
Let me look into it and attempt to code it.
You will know how it goes.

Thanks again,

Pierre

Salut Pierre.
Outside of Mathcad and else, do you have the maths/formula of that system
from a chemical book c/w graph. No sweat to digitize graph.
See you soon... Jean.

Refreshed version. Original MCD Thiele.
Final is the export for plugging in other document.
Next: will test if a seeded scanner can improve timing.
Cheers Pierre, take care ... Jean.

VSD06 G14 12 Binary (2) Copy.sm (116kb) downloaded 3 time(s).

Salut Jean,
Here is a set of data apparently legit (plot) with the source worksheet.


VSD AB Plot.xlsx (43kb) downloaded 5 time(s).
VSD06 AB Single.sm (28kb) downloaded 5 time(s).

Finally a sketch of the chemical vapor deposition (CVD) reactor and notation.

It's a continuous flow reactor.
But with a 0D approach, the "instantaneous" partial pressures are only considered.
p° (noted pz) are virtual partial pressure based on the flows.
peq is the partial pressure at equilibrium

(pz-peq) give the amount of solid deposited. It's the supersaturation.

It's the same physics for salt and sugar.
If amounts below solubility are introduced, no solid is grown.

The worksheet attempts to calculate the "solubility" of components A and B in order to estimate the composition of the solid.
In this system, the elements are coupled (interaction parameter omega).

Not knowing more about the project ...
Cheers ... Jean.

Pierre.sm (25kb) downloaded 1 time(s).

I played my ass a bit in there ... Jean

Page2 Freak.sm (65kb) downloaded 2 time(s).

Thanks you for spotting and fixing the typo.
Pierre