JohanFourie

Hi Jia I haven't come right with "pickup". The model just does not want to converge after "pickup". Or maybe I don't apply it correctly - but I have tried several variations and could not get it running. I can send you a small dummy code if you want to see what I did wrong with pickup. As an alternative what I did, is to run the model initially by removing the O2 buffer altogether, adding "react O2" until I get the oxic conditions - therefore creating a pseudo-O2buffer. My solution is not ideal as I add O2 constantly but it is not exactly constantly consumed over time. Then for the

Hi Jia Thanks for your response. As I understand the pickup will pickup the solution results but will it pickup the reactants (incl kinetic minerals) and precipitated minerals? Regards Johan

I see one can "fix" the fugacity and then at some time step starts to "slide fugacity" but I still prefer to "unfix" it so that there is no oxygen buffer anymore...... ( I tried to slide log fugacity O2 but it does not want to run then)

Hi In my problem I have a situation where conditions will change fairly abruptly from oxic to anoxic (so I dont want to use sliding). Is it possible to adjust the fugacity (or cancel the "fix" fugacity) of a gas "on the fly" when using chemplugin? I tried it but it seems like it doesnt want to work. If not, what will be the best solution? Thanks J

Hi Frank Don't know If I understand your problem correctly. Will it help if you make a copy of the mineral in the database: e.g. calcite1 and calcite2 and then give it the different surface areas you want in the model?

Thanks Dan, this is very helpful. I appreciate your quick feedback.

Hi Brian I have not come right with this yet and would appreciate if you can help. To make the problem more tangible I have edited the chemplugin example: Flowthrough1.py and attached it here. 1) The thermo database does not seem to need the escape character. In the attached python script I can run the 'surface data' without any escape character: 'surface_data = "C:\Program Files\ChemPlugin\Gtdata\FeOH.sdat"', However, if you deactivate it with # and activate the wateqdatabase (for instance), with or without the escape character it does not work: 'dat

Thanks Brian, this is very helpful

"Hi Brian This works well for my model when changing the flowrate. But now I want to change a configuration of one of the instances also at a certain timestep. 1) Can I still do it before the time marching loop (this doesn't seem to work) or should I use extend run if I want to change the configuration 2) Have I done it correctly below or should I use the "remove" and "add" functions? Both temp and Br are already in the configuration - I just want to change their values..... 3) Can one also use the "slide" function in chemplugin? I also tried it but chemplugin ignor

Hi Brian I tried different ways with the quotation marks. If I use single quotes, then there is no error, however chemplugin just ignores the line. I may have a similar problem when I want to assign a different database when using python. There is no error but chemplugin just ignores this and use the default database anyway, e.g. cmds = ('data = "C:\Program Files\ChemPlugin\Gtdata\thermo.com.V8.R6+_MRM_JF.tdat" ', …...etc I have tried to use all different ways with the quotation marks but it doesn't help. Regards Johan

Hi Brian We struggle to write a script in Chemplugin for the reaction rate of kinetic minerals. The script for dolomite is given below. Python also don't like the double notation: "H+" for the parameters. "kinetic Dolomite-Mn 12.1 volume% rate_law = script 'rate = (1.49e-02*EXP(-29000/(8.3144598*TK))*activity("H+")^0.75 + 1.00e-02*EXP(-34800/(8.3144598*TK))*activity("H2CO3")^0.75 + 2.20e-7*EXP(-52200/(8.3144598*TK))*activity("H2O")^0.75) * surface * (1 - QoverK) RETURN rate' pre-exp = ??? act_eng = ??? surface = .65" We would appreciate your help. Regards Johan

Hi Brian We struggle to write a script in Chemplugin for the reaction rate of kinetic minerals. The script for dolomite is given below. Python also don't like the double notation: "H+" for the parameters. "kinetic Dolomite-Mn 12.1 volume% rate_law = script 'rate = (1.49e-02*EXP(-29000/(8.3144598*TK))*activity("H+")^0.75 + 1.00e-02*EXP(-34800/(8.3144598*TK))*activity("H2CO3")^0.75 + 2.20e-7*EXP(-52200/(8.3144598*TK))*activity("H2O")^0.75) * surface * (1 - QoverK) RETURN rate' pre-exp = ??? act_eng = ??? surface = .65" We would appreciate your help. Regards Johan

From 1 user to another: GWB does not have the facility to include statistical distribution of parameters. Option 1: Manually run various scenarios with consideration of the statistical distribution of the most sensitive parameters. Let say the 50, 66 and 95 percentile of a parameter. Option 2: Write a code in Chemplugin that run several models for you with consideration of the statistical distribution of your parameter (which might even be a water balance component). I have not done it myself but think it is a great idea - but one would probably need a lot of time for the deve

Thanks Brian, this worked quite well.

Is there a limit to the number of kinetic mineral that could be added to X1t? We try to simluate a column but X2t does not accept more than ~16minerals?