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  1. ruth

    arsenic speciation

    Hi Tom, I am trying to model the theoretical chemical speciation of arsenic using the bulk chemical composition of the water. My question is if the program can distinguish that I am using the total concentration of arsenic as input for the program of the GWB? This is because the basis species for the arsenic is As(OH)4- Thank you very much
  2. Hi Tom, Thank you very much for your answer. It will be very useful for us. About your answer about the details that we have to looking and make great differences between different database, there are some validation methods that can be applied to or model? Best regards, Ruth
  3. Hi Tom, Thank you very much for your fast answer. We calculate the solubility constant with Rxn and we are in agreement with the results. But, Which is the polynomial equation for gypsum solubility constant for the thermo database? Another question. If we change to the phreeqc database, the saturation index is different if we use the thermo database, Why? Thank you
  4. Hi Tom, We have a doubt about the saturation index calculation. We are using this formula to calculate the saturation index: IS=Log (IAP/Ks) where, IAP= [Ca][sO4] Using the values obtained from the aqueous species after running the SpecE8 program, we calculated a saturation index of -0.0191. It means the solution is nearly equilibrium in gypsum. We are sending you the attached of the results and we copy in this message. Aqueous species molality act. coef. ------------------------------------------------------------ SO4-- 0.01410 0.4205 Ca++ 0.008221 0.4613 But if we compare the saturation index calculated by us and the obtained from the program (-0.1443), there is a difference. Our questions are, How does the program calculate the saturation index? or what other variables are taking account to saturation index? This is very important for us, because we are trying to explain the formation of a gypsum deposit. Thank you very much. Water_Sandra_output.txt
  5. ruth

    System Cu-O-H-S

    Thank you Tom, I will try to understand the configuration. If I have more questions I will write you. Ruth
  6. ruth

    System Cu-O-H-S

    Hello, We are trying to reproduce the diagram Eh vs pH for the system Cu-O-H-S under different concentrations of Cl- using the Act2 program (v 6.0). Our problem is when we include the covellite and chalcocite to the diagram, the field of the soluble chemical species of Cu (Cu2+ and CuCl-2) and the minerals (tenorite, curpite and native copper) disappear. We attachement the pdf article. The figure that we can reproduce is fig. 2 Thank your for your help Ruth p1036-p1048.pdf
  7. Thank you Tom, I will try with the chiller program and also I will calculate the concentration of elements during phase separation as Henley et al. (1984) proposed. Ruth
  8. Hello, I want to simulate the boiling process varying the pressure. I was thinking that it can do it as a polythermal path, changing the pressure value. When I want to do this with the command "pressure" or "P" it does not work. I have the release 6.0. Please help me. Thanks. Ruth
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