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kelvin

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Posts posted by kelvin

  1. Dear Tom:

     

    Thank you very much.

     

    But in U06C_80.rea script, I am not sure whether I need to select the "extrapolate" option as U06C_80.act script.

     

    When I intend to run all programs in GWB above or below 25C, the "extrapolate" option must be turn on. Is it correct?

     

    Regards,

     

    Kelvin

  2. Dear Tom:

     

    Thanks a lot. May I ask more question about this case?

     

    When I run React after Basis entry, it shows the Error message "Don't know how to set charge balance:species Cl- is not in the bsais".

     

    After balance on HCO3-, it dose not show the Error message but the Run pane shows "Residual too large".

     

    Then I balance off HCO3-, it runs normally.

     

    Could you tell me how to run React correctly in this case?

     

    Regards,

     

    Kelvin

  3. Dear Tom:

     

    I use the Act2 program(GWB 8.0.8) to draw the pe-pH diagram of UO2++.

     

    The basic information are as follows:

     

    UO2++(total) = 1.000000E-06 (M)

    |

    HCO3-(total) = 5.304055E-04 (M)

     

    T=25C & 80C

     

    The results are shown as attachment.

     

    From the results, we can see when pH=8 and pe=0,

     

    the predominant species is UO2.25 at 25C, and the predominant species is UO2.3333(beta) at 80C.

     

    But when I use the React program to perform the speciation modeling, it shows:

     

    UO2.3333(beta) ppt at pH=8 and pe=0 at T=25C,

     

    UO2.6667 ppt at pH=8 and pe=0 at T=80C.

     

    The results from React and Act2 are different. Why?

     

    Could you help me to confirm these results. Thanks a lot.

     

    Kelvin

    post-9973-049024600 1292986705_thumb.png

    post-9973-096941500 1292986719_thumb.png

  4. Dear Tom:

     

    Thanks for your help. After turning on the "extrapolate" option, it looks like OK.

     

    But when I built it at 80C, it looks like a little strange(see attachments).

     

    My questions are as follows:

     

    1.Can I extend the temperature range to 80C via "extrapolate" option ?

     

    2.Does it have temperature calibration in "thermo.com.v8.r6+.dat" ?

     

    3.The waterlimit line looks like strange. Is it correct?

     

    Sincerely,

     

    Kelvin

    post-9973-084311000 1291950845_thumb.png

  5. Hi,

    I use GWB pro. 8.0 to built the Eh-pH diagram of Fe in the presence of Cl-,

    the input informations are as follows:

     

    # Act2 script,

    data = "c:\program files\gwb\gtdata\thermo.dat" verify

    swap e- for O2(aq)

    diagram Fe++ on pe vs pH

    log activity main = -6

    log activity Cl- = -.79

    speciate Cl-

    x-axis from 0 to 14 increment 1

    y-axis from -16.9 to 16.9 increment 2

     

    When I change the temperature condition(ex. 24.9C, 25C, 25.1C), the results seem the same(fig(a)~©).

     

    But when I change the database(thermo.com.v8.r6+), the results seem different(fig(d)~(f)). Why??

     

    Thanks a lot.

    post-9973-062312800 1291865270_thumb.png

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