question about PHAST/PHREEQC-- with attachments

[Angus Calderhead <acalderhead@xxxxxxxxxx>]

This is the same email sent a few minutes ago except it has the attachments included.

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Hi,

 

I'm working on a simple 2-D benzene oxidation problem with PHAST.

 

I have followed parts of PHREEQC example 15 (kinetic biodegradation) for the monod kinetics.

 

I am presently getting a non-convergence problem and I can't seem to fix it.

 

The errors I am presently getting are the following:

"ERROR: The program has failed to converge to a numerical solution."

"ERROR:                    E solution phase boundary has not converged.  Residual: -3.520584e+000"

 

 

I have included all 3 files

 

the database was altered to include:

 

SOLUTION_MASTER_SPECIES

C(6)     C6H6           0.0     C6H6            78.108

 

SOLUTION_SPECIES

C6H6 = C6H6
 log_k           0.000
        -gamma    5.4000    0.0000

 

6 CO3-2 + 12 H+ = C6H6 + 3 H2O + 7.5 O2
 log_k           0.000
        -gamma    5.4000    0.0000

 

this is supposed to be an irreversible reaction with a scaling for intra-aqueous kinetic reactions = 1.0e-11   

 

right now my main problem is convergence.

I'm not sure If my errors originate from the  .trans or .chem file.

 

If you have an answer to this problem I would love to hear it.

 

Best regards,

 

Angus

Attachment: phast.dat
Description: Binary data

Attachment: biodeg.chem.dat
Description: Binary data

Attachment: biodeg.trans.dat
Description: Binary data