Some organic acid can not be found in the component list provided in the component file. Is it possible to add it to the system by editing the component file?
Dear Wendong Wang,
usually it is not possible to add or delete species in VMinteq. If you click on "show organic components" there is quite a large selection of organic acids. If this is not enough you may consider to edit the database (vdb format), but be careful and read the manual thorougly. Otherwise the database file is broken.
If you only need a few components of which you have all data available, you could consider to use PhreeqC. Here, editing the database is very simple, you can use any text editor and the formatting is ewasy to understand.
Best
Klaus
Thanks, Klaus! Do you mean I can replace the organic component's parameters shown in the database with the parameters of the target organic matter used in our study? If do this edition, need I change any other parameters in the other database?
Hi there Wendong,
Of course it is possible to add new components to Visual MINTEQ!! Unfortunately there is no information about this in the help file, but this question (as well as many other similar questions) have been covered in the VM Facebook group (https://www.facebook.com/groups/339017492793962/). For VM users with this or with similar questions it could be a good idea to browse earlier Q/A. Below I have pasted in the reply from 2012 to a very similar question, and it is applicable in this case as well:
1. Open the component database file "comp_2008.vdb" in WordPad (this should be located in your user folder for the Visual MINTEQ files).
2. In this file, on every row you see a number in the first position - this is the component ID number, which is unique for every component. New organic components should have ID numbers ranging from 813 to 850. So, insert a new line immediately after the entry for "Tris-1"
3. Let's take the Tris entry as an example of a database entry:
812,"Tris-1",-1,0,0,121.14
The component ID number is in the first position. Second you have the component name (it needs to be within citation marks as shown). The third position is for the charge of the component. The fourth and fifth positions are for the Debye-Hückel a and b parameters (often not available, then set to 0), The last position is for the molecular weight. Insert all this information as for the other components and then save the file.
4. Now you need to add reactions to the main thermodynamic database. There are some brief instructions available in the help file under "Thermodyn. databases". See also comments to an earlier post in the FB group discussion.
Good luck! / Jon Petter
I have followed the procedure suggested by you ( Jon Petter Gustafsson ), I got the component name in the 'Add Component' menu. But, when I run the model I am getting an error.
I followed all the steps suggested by @Job Petter Gusafsson, but I didn't find my component in the list. I don't know why......
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