[OLD] Reacting microcline

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From: Tom Meuzelaar

Subject: reacting microcline

I'm attaching a React script and two corresponding Gtplot images (EPS format). In this system, I am gradually adding Microcline to an aqueous solution with an initial pH at 2. I then diagram 'pH' vs. 'Microcline reacted' in Gtplot. If I make the x-axis scale linear, the reaction trace correctly starts at pH=3D2 on the y-axis. However, if I make the x-axis scale logarithmic, the reaction trace begins at pH=3D3 (it is not a scaling issue..). Any idea why? Also, in an attempt to include each reaction path iteration in my output file, I've set the value for 'dxprint' equal to the value for 'delxi'. In the subsequent output file (also attached), iterations 12-112 are all included, but among the first 12 iterations, only 0, 1, 3 and 12 are included. Am I going about this the right way?

 

From: Tom Meuzelaar

Subject: RE: reacting microcline

After the initial speciation, the pH at step #1 is 3.052. No mass transfer occurs during step #0 and #1, and given the x-scale is log mass reacted, log zero is undefined. I'm still trying to figure out how to print all reaction iterations to the React output file....

 

From: Craig Bethke

Subject: RE: reacting microcline

To write the results of each reaction step to the plot file, set variable dxplot (Config -> Variables) to zero.