Jump to content
Geochemist's Workbench Support Forum

Problem trying to simulate bacterial sorption

Recommended Posts

[admin notice: the below is from the former GWB users group email distribution list. This message was originally posted 7/11/2006]


Posted by: Andy Scott




I am trying to simulate bacterial sorption of uranium, and get a React stop message saying "set_bascomp: lost element".


What have I done wrong in setting up my surface and/or thermo database files (or anything else for that matter), and what can I do to correct the problem?


Thanks in advance for your help.



files attached, although .dat extensions changed to prevent removal by security software; Bacteria.txt is surface interaction db and other is thermo db.


Posted by: Craig Bethke


Hi Scott,


You have a mineral Bsubtilis that's composed entirely of the element Bc, and it has an uncomplexed surface site >(Bac)POH composed not only of Bc, but phosphorus.


React loads Bsubtilis since the system contains Bc, then tries to make up its surface sites. But the system contains no P, so the program doesn't know what to do and gives up.


You can include phosphorus in the initial system, or not specify that the surface site contains P.


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...