Calcite Dissolution Example

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4 years 9 months ago #273 by priyaiitr
Hi,

I have been getting following error in example "calcite dissolution":

PhreeqcRocks.chemistry.PhreeqcInterfaceLib runAccumulated
SEVERE: unable to run phreeqc code

phreeqcRocks.chemistry.PhreeqcInterfaceLib runAccumulated
SEVERE: ERROR: A(H2O) Activity of water has not converged. Residual: 7.527291e-001
ERROR: Numerical method failed on all combinations of convergence parameters

Getting this error repeatedly even though I have not changed a single thing in the code and also the directory path of Phreeqc input file is same as is given in the code. I am not able to understand this convergence problem. For more details please see the attachment.

File Attachment:

File Name: Error_iCP.txt
File Size:21 KB


Any help would be appreciated.
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4 years 8 months ago #275 by Alvaro Sainz
Hello,

We are sorry for the late response. The error is probably due to the restart option. Your model is starting from a checkpoint. Try to turn off this option in the tenth line of the .json file.

In any case, I send attached the calcite dissolution benchmark. It should run with these files.

Best
Alvaro
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4 years 7 months ago #280 by jalilpazhoohan
Hi
I was having difficulty in implementation of the attached example. If possible, Explain how resolve this error Please. On the other hand, how coupling designed Comsol system with PHREEQC?
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4 years 7 months ago #281 by Alvaro Sainz
DearJalil,

I can not see from the file which is the problem in the model. However, if you want to run the Calcite dissolution example, try the files attached in the second post of this conversation. It should run properly.

About how the code couples COMSOL and PHREEQC, there are many things to talk but in the iCP Manual there is an explanation about iCP structure and its workflow.

Thanks
Alvaro
The following user(s) said Thank You: jalilpazhoohan

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4 years 7 months ago - 4 years 7 months ago #283 by priyaiitr
Hi,

I used iCP version 1.2 with COMSOL 5.0 version, then the error was resolved. COMSOL 5.2a version doesnot support iCP.
Last edit: 4 years 7 months ago by priyaiitr.

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