Wrote

Red line looks good.
It is in line with the expected response of the system.

Red line plot may be integrated providing a model fit is given.
Attach your data set, I will attempt a model.
Cheers ... Jean.

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

Hello,
I need to double check the data from the plot as I picked them up one by one.
And I want to give you sound data.
I will take care of it this week end.

I kept debugging the program. I found a few silly errors.
Hovering the mouse on the program shows the matrix.
The number of loop is reduced to 9 for troubleshooting.
But it's neither displayed outside of the program nor saved in a file.
Is there a way to fix that ?

Thanks for the help,

Pierre


VSD06 G14 12 Test.sm (81 KiB) downloaded 39 time(s).

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.

Salut Pierre.
As you can imagine, I'm trying to see something from
these indigestible too big too small values.
Maybe it goes nowhere or hits the wall.
Cheers ... Jean.

VSD06 G14 12 Binary (2).sm (70 KiB) downloaded 43 time(s).

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

Wrote

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).

Hi Pierre. I talk about pz(1), pz(2) and N as in the notation you use in your worksheet. Usually N determines the number of intervals into which a range is divided, but here it is not the case since it also affects the values of the edges of the interval. I mean these corners



Best regards.
Alvaro.

Wrote

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.

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.

Yes I do. I actually published it as well.
I post it this week end.
Pierre

Wrote

Yes I do. I actually published it as well.
I post it this week end.
Pierre

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 (115 KiB) downloaded 43 time(s).

Salut Jean,
here is a reference paper.

This work is the reference in the field.
https://www.sciencedirect.com/science/article/pii/0022024883903007

A slightly older paper but with similar maths
https://iopscience.iop.org/article/10.1149/1.2401687/meta

JCG62_83_225.pdf (404 KiB) downloaded 51 time(s).
JES121_74_1357.pdf (549 KiB) downloaded 51 time(s).

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


VSD AB Plot.xlsx (42 KiB) downloaded 43 time(s).
VSD06 AB Single.sm (27 KiB) downloaded 41 time(s).

Here is a mathcad worksheet with the results.
I attached an Smath worksheet with the parameters.

VSD Si-Ge 23-01-14.xmcd (199 KiB) downloaded 44 time(s).
MCD VSD Si-Ge 23-01-14.pdf (131 KiB) downloaded 53 time(s).
MCD VSD Si-Ge 23-01-14.xlsx (16 KiB) downloaded 42 time(s).
VSD06 G14 12 SiGe.sm (48 KiB) downloaded 44 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).

Wrote

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

Sorry Pierre, NONE of your Smath document work on my system.
The Mathcad table does not plot much.
Cheers ... Jean.

Page6 Pierre.sm (58 KiB) downloaded 39 time(s).

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

Pierre.sm (24 KiB) downloaded 35 time(s).

Thank you Jean.
I need a little time to digest the information.
Pierre

Wrote

Thank you Jean.
I need a little time to digest the information.
Pierre

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

Page2 Freak.sm (64 KiB) downloaded 36 time(s).

In your attached PDF, a function has this;



Same function in your smath files is this;



Causing this;



If this was not on purpose, here is your file fixed;

VSD06 G14 12 SiGe.sm (50 KiB) downloaded 43 time(s).

Thanks you for spotting and fixing the typo.
Pierre