forrie

Thanks Jia, thanks for clarifying this.

Hi QUESTION1 I am using Chemplugin 14. In my model I have 4 nodes and want to keep the solution volume constant. I have a list that I want to reset the fluid volume to: list_SolVol = [0.6, 1.7, 0.5, 1.4, 1] like this: for i in range(nx): cp[i].Config("resize fluid " + str(list_SolVol[i]) + " m3") However, chemplugin seems to change the bulk volume and not the solution volume. I check it through: for i in range(nx): print("solvol: ", cp[i].Report1("soln_volume","m3"),"volume node: ",cp[i].Report1("bulk_volume","m3")," PV : ",cp[i].Report1("PV")) Here is some print output at some timestep: solvol: 0.026172303693188213 volume node: 0.5999999999999999 PV : 6.0001677297425 solvol: 0.08568825050586173 volume node: 1.6999999999999993 PV : 2.1177062575561734 solvol: 0.0585576969381515 volume node: 0.49999999999999983 PV : 7.200201275691004 solvol: 0.020309748395506474 volume node: 1.3999999999999997 PV : 2.571500455603926 solvol: 0.02229226342265376 volume node: 1.0 PV : 54.00150956768248 Could you maybe check if this is correct..... QUESTION2 Not directly related to the above; if I want to introduce evaporation to a node through react -400 kg/year H2O it seems that this does not influence the solution volume (it will just concentrate up the solution by the removal of a parameter H2O). Is this correct? So if I want to change the solution volume through evaporation I will also have to use the resize function? Is there another way to introduce evaporation? QUESTION3 In Chemplugin the bulk volume (for each node) changes as in React and does not stay fixed like in X1t and X2t? So the bulk volume will also changes when the solution volume changes? It doesnt add inert volume? Basically, is there a difference how chemplugin and react handle changes to the bulk and solution volume (with or without evaporation). Sorry I havnt checked this in the model myself yet but maybe it is good to ask. regards Johan

Hi This is a small but annoying problem: Why is some mineral saturation not shown in GSS or React when trying to plot it? (the minerals are not suppressed and all components of the minerals were included) In a Xt1 model I have performed on water with similar composition the mineral saturation is given in output using the same databases. Regards Johan

Hi Brian Anything yet?

Hi Catriona With a lot of kinetic minerals I sometimes give all of them a zero surface area to start with. then I add the surface area (SA) of each mineral one after the other (running the model inbetween) until I see where is the problem (the faster reacting minerals). It is difficult to know the exact mineral SA. Sometimes I also reduce the SA of the silicates (then the model often runs)and slightly increases it until I feel it sorts of reflect the conditions I want to model. It would be interesting to see the model in X1t also. Regards Johan

Hi Brian When I replace the built in rate law with the script the mineral does not react. I thought that maybe it is again the script that is the problem as no reaction takes place. However if I specify the first condition of the script in the built in law then it runs perfectly. But I would like to run the second condition also. Regards Johan Column test pyr.x1t

Hi Brian I am trying to simulate acidification over time in a column test. Can you please tell me what is wrong with my script for a kinetic mineral below... IF pH > 3 THEN 20 ELSE 40 20: rate = 6.4565e-13 * surface * (1 - Q/K) * (activity("H+")^-0.11) * (activity("O2(aq)")^0.5) GOTO 60 40: rate = rate_con * surface * (1 - Q/K) * (activity("Fe+++")^0.93) * (activity("Fe++")^-0.4) 60: RETURN rate Thanks Johan

Hi Brian Thank so much for your help! Regards Johan

Hi Brian I have attached the .rea and the .bas files. I just changed the .bas extention to .txt as it seems that one cannot upload a .bas file. The .rea script is just an example of what I am trying to do. Actually my model is in Xt1, however I have deleted all the clutter and just put it into React. However, there is the same problem in React. When I change the "custom rate law" to "built in rate law" then there is no problem and the calcite reacts - but when I add the script file then nothing happens and the model totally ignores the calcite as if it is not there. (It may not be neccesary to assign such a complex rate law to calcite but I would like to sort out the principle - how to let a mineral dissolve with different rate laws under different pH conditions). I use GWB 8.012. Thanks so much for your help. Regards Johan Example of calcite dissolution.rea ratelaw_calcite.txt

Hi I am trying to model calcite dissolution under both neutral and acid conditions as the model start with the former and end with the latter. However, GWB totally ignores dissolution when I assign a script to the model (calcite reacted = 0). The script is given below. Is my script wrong that GWB ignores it? I also assigned a rate const and a surface area in the interface for the neutral conditions. I assumed that neutral/acid conditions change at 6.3. Thanks in advance. Regards Johan IF pH > 6.3 THEN 20 ELSE 40 20: rate = rate_const * surface * (1 - Q/K) GOTO 60 40: rate = 3.235936569E+05 * rate_const * surface * (1 - Q/K) * activity("H+")^powerD(1) 60: RETURN rate

Hi Brian Will you please show me how to add such a fake mineral and aqueous specie in order to allow for increase in water content? Although the dissolution of the mineral wont react with other species, wont it influence system parameters or thermodynamics of the system? If I could change the water content over time it is something that I will be able to frequently use in my modelling. Your help is highly appreciated. Regards Johan

It would probably work better if I do it in X2t because in X1t flow can only be in one dimension?

Hi Is it possible to increase the water content in X1t over the model time (node per node)? In the model is an unsaturated zone with an underlying saturated sone and I want to simulate a rising waterlevel. As I understand the "porosity" in "medium properties" needs to increase over time. The unsat zone has an initial water content of 0.1 and this must increase to 0.3 over time. If not in GWB, is it possible to write such a function/script outside GWB? Regards Johan

Hi Brian I have a column test with Cu material (mostly bornite, very little chalcopyrite) I want to model. I have tried the modelling but it still doesnt yield satisfactory results. Usually I have no problem to simulate columns with pyrite but this one is very different and I want to figure out why the SO4 production is so different. There was some lag time (8weeks) before SO4 was suddenly produced (at a significant rate) which I found very suprising. I thought it might have something to do with the mineral kinetics but I am going to send the sample for SEM to see if it could recognise any secondary mineral phases - I think this might help with understanding the results. Has anyone else experience with columns tests on Cu material? Kind Regards Johan

In the end I let bornite dissolution generate the superficial CuS(aq) specie (instead of Cu++) in the database and just let CuS(aq) decompose (using redox kinetic)according to the kinetic rate of covellite. It is a shortcut and I hope it is "legal".

Hi Brian Thanks for the detailed reply! That is why I am using GWB. Anyway, I will try your recommondation and will have a look at the examples. I will let you know whether I came right. Thanks for your help! Regards Johan

My problem is similiar to https://www.rockware.com/forum/index.php?showtopic=1099

Hi Please help - this is urgent How do I force all Cu2++ from kinetic bornite dissolution to form kinetic CuS (covellite - ALTHOUGH IT MAY BE UNDERSATURATED) and Cu+ must go into solution. The covellite must then dissolute kinetically into Cu++ and SO4--. I want Covellite also as kinetic mineral so I dont want to swap Cu++ with covellite in the basis pane. While I am writing here I am thinking prehaps to specify two new (artificial) minerals in the database - one containing the Cu+ part of the bornite and the other one the Cu++ part and then give them seperate kinetic rates. But now I think this will not work because I want to state a kinetic rate for the production of the Cu++ from Bornite dissolution and a separte rate for Cu++ production from the formed covellite. Regards Johan

Tom, thanks a lot. GSS is really nice to work with your chemical data. Regards Johan

I have only downloadedinstalled the latest patch 808

Hi In the patch description the following: "We have released GWB 8.0.7, which addresses the following issues: •In GSS, allow mixing of samples in arbitrary mass ratios." First problem: Ive downloaded the patch but I cant see where to change the mixing ratios in GSS. (One can still mix it yourself in excel but it would be nice if it can be done automatically). Second problem: why dont GSS mix alkalinities? Help will be appreciated Regards J

hi Tom, Thanks for the upgrade link you sent, however, I still cant plot my scatter data in Gtplot 8.0.2. The data works perfectly in GWB 7. "Time" "SO4--" "Sulfur" "Ca++" 7.00 2791 931.52 435.00 14.00 1827 609.78 377.00 21.00 1285 428.88 308.00 28.00 961.00 320.74 285.00 35.00 860.00 287.03 254.00 42.00 767.00 255.99 242.00 black black black black yield yield yield circle Kind Regards Johan