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[OLD] Adding sorption sites


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From: Wang Lian

Subject: adding sorption sites

I am trying to add some surface sites (for sorption) other than iron oxides into dataset HFO+.dat, e.g., Gibbsite as a sorbing surface. I can't seem to do that as I got error message as:

React stop: set_bascomp: lost element

-- Hit any key to quit React.

 

From: Craig Bethke-

Subject: Re: adding sorption sites

The solution to this problem is easy: you need to have a separate dataset for each type of surface you want to consider in your simulation. The reason is that React figures the surface area for each surface type separately, by summing over the minerals with that surface type.

So split the dataset into two files, one for ferric iron, the other for alumina. Then open both in your React session, and you're done.

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