Jump to content
Geochemist's Workbench Support Forum

Problem converging on initial composition

Tom Meuzelaar

Recommended Posts

[admin notice: the below is from the former GWB users group email distribution list. This message was originally posted 8/28/2006]


Posted by: Aaron Slowey




React is not converging on the initial composition of my system

(08-24-06.rea file attached). The problematic aqueous species seems to be

the anion I specify React to charge balance on (either Cl- or nitrate,

with no effect on residual, etc.).


I'm trying to use the Minteq_gwb4 database, to which I've added 1 new

aqueous species (see attached file). I can load this database without any

error prior to opening the .rea script.



Thanks for any suggestions.


Aaron Slowey



Posted by: Craig Bethke


Hi Aaron,


The model doesn't converge because it is not possible for a chemical system containing cinnabar and H2S to be in equilibrium with a reservoir of dioxygen gas.


If you set a very low oxygen fugacity (say, 10^-80 or so) the simulation runs to completion.


Hope this helps,


Link to comment
Share on other sites

Join the conversation

You can post now and register later. If you have an account, sign in now to post with your account.

Reply to this topic...

×   Pasted as rich text.   Paste as plain text instead

  Only 75 emoji are allowed.

×   Your link has been automatically embedded.   Display as a link instead

×   Your previous content has been restored.   Clear editor

×   You cannot paste images directly. Upload or insert images from URL.

  • Create New...