HP1 with more than 20 solutes

[Dani]

Dear Hydrus (and HP1) users,

I have not found any post where somebody has work with more than 20 components in HP1 (using the grapical interface it seems to be the maximum).

Using the graphical interface of Hydrus-1D. I have been able to run HP1 with 19 components (no interaction with any surface, only homogeneous reactions).
Then I have proceed to modify the number of components from 19 to 27.
First, I have modified 3 things in the Selector.in file a) the "No.Solutes" from 19 to 27. b) I have added for each new species the 16 paramenters such as DifW, DifG, Beta, Henry, etc (being the diffusion equal to the bulk diffusion), c) In the section of KTopSolute and KBotSolute I have added the corresponding 0 for each new species.
After, in the Species.in I have added the new components that I are being transported.
Finally, in the user interface, in HP1 Definitions --> Definitions of Solution Compositions. I have added also the new species in the initial Phreeqc solution and in the boundary solutions.
I have run the problem from the user interface without problems but I have notice that files such as OBS_NODE are empty (also NOD_INF), and there are some files that did not even appear such as obs_nod_chemX, or soluteX. Is there a reason for that? How can I solve it?
I have closed Hydrus-1D GUI and I have opened it again. This time, I have not been able to run the file. What is that due?



I have also noticed another problem when trying to add Mn as component. I am using the ThermoChimie_PHREEQC_Davies_v9b0 database. I get a message saying that such component is not define in the database, but I have check and it is defined. What could be the reason for such problem, and how can I solved?

Thanks

[diederik]

Hello,

you cannot run more than 20 species with the default HPx program (as embedded in the HYDRUS GUI). We have a dummy version that I distributed on request (if you send me your email address).

The issue of Mn I cannot solve now - do you have it also with less than 20 components? I tried Mn in the Thermochemie database and it was running. Can you confirm that you have that issue only with less than 20 components?

Diederik

[Dani]

Yes, my bad about Mn. Now, it is working with less than 20 solutes.

[diederik]

Can you just send your email address to djacques@sckcen.be for the version with more than 20 components

[swhitman]

Hello Diedrick,

I've just sent you an email requesting the modified code that can accept more than 20 components as well.

I have a further question that I inlcluded in the email, but will include here for others also:

When setting up my model, I am getting errors that certain species (e.g. S(-2)) are present in solution but not transported. When I try to add them manually (they are not in the presets list), the model will not run, and I get the following error message:

"File already exists or hard disk is full! Open file error in output file :

.......\solute1*.out"


The model will run for a few steps without the species (e.g. S(-2)) but eventually a mass balance problem develops on sulfur, causing the model to crash.


Can I add components other than those in the presets list?
If so, do you have any insight as to why I am getting the error message above when I add them manually?

I am using the llnl.dat database as it contains some elements and species that I need.

Thanks!