Sam

I am trying to get react to generate a speciation diagram for Al+++,Al3((OH)4)5+,Al2((OH)2)4+,AlOH2+,Al((OH)2)1+,Al(OH)3,Al(OH)4- .In the command pane I put the following: 0.01 molal Na+ 0.01 molal Cl- 10 mmolal Al(OH)4- ...Error Al(OH)4- needs to be swapped in to the basis when I go to the basis pane to add Al(OH)4- or any other Al species or try to swap it I do not find it in the Aqueous list.So I have only Al+++, H+ ,Cl- and H2O in the basis. continuing with the commands: pH = 2 slide pH to 8 precip = off go Then I get the following message:N-R did not comverge after 400 its,maximum residual = 4.52 e+120,Xi=0.3400...--Didn't wake up,abandoning path.Please help.

I am trying to get react to generate a speciation diagram for Al+++,Al3((OH)4)5+,Al2((OH)2)4+,AlOH2+,Al((OH)2)1+,Al(OH)3,Al(OH)4- .In the command pane I put the following: 0.01 molal Na+ 0.01 molal Cl- 10 mmolal Al(OH)4- ...Error Al(OH)4- needs to be swapped in to the basis when I go to the basis pane to add Al(OH)4- or any other Al species or try to swap it I do not find it in the Aqueous list.So I have only Al+++, H+ ,Cl- and H2O in the basis. continuing with the commands: pH = 2 slide pH to 8 precip = off go Then I get the following message:N-R did not comverge after 400 its,maximum residual = 4.52 e+120,Xi=0.3400...--Didn't wake up,abandoning path.Please help.

I need to generate a speciation diagrams for Al+++ ,Ca++,Mg++ ,Fe+++ and Fe++ as a function of pH. To see how speciation diagrams are generated in React tried the example on pages 214 and 215 of the text: Geochemical and Biogeochemical Reaction Modeling , 2nd edition , by Graig M. Bethke typing in the folowing commands as in the book: decouple UO2++ 10 mmolal Na+ 10 mmolal Cl- 1 mmolal UO2++ swap H3PO4 for HPO4-- 1 mmolal H3PO4 pH = 2 slide pH = 10 precip = off go The program ends successfully but when I ask it to plot the results I do not get the diagram which is Figure 14.12 on page page 215 of the text.Instead React gives me a diagram that has on the vertical axis labelled "components in fluid (moles)" and a horizontal axis labeled "Rxn progress" the plotted results are completely differrent ,of course ,from that shown in figure 14.12 in the text. Please help,as I am already behind schedule on generating these speciation diagrams.

I need to generate a speciation diagrams for Al+++ ,Ca++,Mg++ ,Fe+++ and Fe++ as a function of pH. To see how speciation diagrams are generated in React I tried the example on pages 214 and 215 of the text: Geochemical and Biogeochemical Reaction Modeling , 2nd edition , by Graig M. Bethke typing in the folowing commands as in the book: decouple UO2++ 10 mmolal Na+ 10 mmolal Cl- 1 mmolal UO2++ swap H3PO4 for HPO4-- 1 mmolal H3PO4 pH = 2 slide pH = 10 precip = off go The program ends successfully but when I ask it to plot the results I do not get the diagram which is Figure 14.12 on page page 215 of the text.Instead React gives me a diagram (generated by Gtplot) that has the vertical axis labelled "components in fluid (moles)" and a horizontal axis labeled "Rxn progress" the plotted results are completely differrent ,of course ,from that shown in figure 14.12 in the text. Please help,as I am already behind schedule on generating these speciation diagrams.

I need to generate a speciation diagram today for sorption onto hydrous ferric oxide. I started with the example on page 210 in the textbook "Geochemical and Biogeochemical Reaction Modeling" by Graig Bethke 2nd Edition- I typed in the short sorption example from the book exactly as on the page and was surprised to get the following error . --Error:Don't know to set charge balance Species C1-- is not in the basis. What is species C1 ? I need to generate a speciation diagram for the system above but also including Al,Ca and Mg before close of business today I need help example on page 210: surface_data =FeOH+.dat sorbate include decouple Fe+++ suppress Hematite,Goethite swap Fe(OH)3(ppd) for Fe+++ 1 free gram Fe(OH)3(ppd)

I need to generate a speciation diagram today for sorption onto hydrous ferric oxide. I started with the example on page 210 in the textbook "Geochemical and Biogeochemical Reaction Modeling" by Graig Bethke 2nd Edition- I typed in the short sorption example from the book exactly as on the page and was surprised to get the following error . --Error:Don't know to set charge balance Species C1-- is not in the basis. What is species C1 ? I need to generate a speciation diagram for the system above but also including Al,Ca and Mg before close of business today I need help.

Hi Brian, I modified thermo.dat data set by adding two basis species ,CuS and H2S(g), to the list of basis species making sure I followed the same format and changed the number of basis species and Act2 still said the dataset was bad. I need to generate Eh-pH plots for the system Cu-Fe-S-Hcl-H2O at 25 deg C.If I use the thermo.dat data set as the default dataset(no modification) the Eh-pH plot that results only uses one mineral , chalcopyrite, in computing the Eh-pH plot- that is what Act2 says when you click on the Results pane after the plot is done.Is there a way to modify the thermo.dat dataset to be able to generate these Eh-pH plots for the Cu-Fe-S-HCl-H2O system ? Sam

I am new to GWB.I am trying to use Act2 to draw an Eh-pH diagram at 25 deg C for the system Cu-Fe-H2S-HCl-H2O.I modified a Thermodat set to use for the plot.First Act2 said it could not find the data set. Now when I launch Act2 I get an error message as follows:"Warning :database C:\Program Files\Gwb\Gdata\Cu_Fe_S_HCl_H2O_Eh-pH.dat doesn't match debye-huckel model" when I click on the OK button it gives another error: "Exit Act2 stop:bad thermo database Act2 ending" and it does not allow Act2 to be launched anymore.I do not understand these errors or how to fix them- please I need help to produce these Eh-pH plots today- please help.