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MSZ

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    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Thank you for your response. I have specified the reaction product's kinetic rate by negative sign to set the precipitation kinetic, but REACT still considers it as dissolution; in the result file all kinetic rates are considered as dissolution. Is there any way to specifically introduce the precipitation rate to the software?

     

    Thank you

    Masoud

    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Thank you, Brian for your useful responses.

     

    I have a new question; I'm trying to run a kinetic reaction on REACT (script is attached). I have introduced the reaction rate and the specific surface area for reactants. The results show formation and percipitation of new minerals (like Saponite-Ca), which software doesn't have their kinitic parameters. My undrestanding is that the software considers the dissolution of reactants with kinetic path but new minerals don't be formed with kinetic reaction path. How can I set the formation of new minerals (which are not in the system before reaction) wiht kinetic path?

     

    Thank you

    MasoudKinetics.rea

    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Hi Brian,

     

    Thank you for your response. In section 13.2 of the Geochemical and Biogeochemical Reaction Modeling (Fig. 13.2), it is not clear that what is shown by Y axis. Y axis just has unit and there is no label. In the case that it is species concentrations, how did you choose that which species appear in the graph and which one disappear?

     

    Thank you

    Masoud

    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Hi Brian,

     

    Thank you for your response. This is what I want to model; I have a rock (mixture of minerals) and a brine (exists in the rock's pore volume) in the initial scope. So, I introduced rock to the software with volume percentage of minerals (for example, 40 vol% Calcite) and I entered brine with species concentrations (for example, Ca++ = 208 mg/kg). Therefore, I have to have both in the system and constraining Ca++ shouldn't affect Calcite amount in the Basis. Is there any way to do this?

     

    Like steam flood example from section 3.11, I didn't want to swap minerals to the inlet but GWB forces me to add some species like SiO2, Al+++, O2, ... to the system which I don't have them in my real system. Even after adding these extra species this is the error that I get:

     

    N-R didn't converge after 999 its., maximum residual = 1, Xi = 0.0000

    Initial solution is too supersaturated.

     

    Is there any way to skip adding extra species to the system?

     

    Thanks

    Masoud

    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Hi,

     

    I'm trying to model a one dimensional flow through a reservoir using X1t. I have quartz, calcite, pyrite, k-feldspar and smectite as reservoir rock and using command bar I swapped them to initial scope for SiO2(aq), Ca++, H+, K+ and Na+, respectively. After running the model, using output file, I realized that only quartz has been entered as a initial rock and other minerals have not been included in the reaction. How can I enter other minerals to the initial scope?

     

    Thank you

    Masoud

    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Hi,

     

    Thank you for your useful information. What is the value of default pressure in reaction modeling using REACT? How can I set the pressure in REACT and X1t?

     

    Thanks

    Masoud

     

     

     

     

    Hi,

     

    We recommend that you update to version 9.0.3, available from our website. You can also check for updates from the Help menu of any GWB application.

     

    You can use the "reactants times" option to continuously add your reactant fluid into an initial system. You might also be interested in the "flush" configuration built into the GWB. With this option, your (unreacted) reactant fluid enters the equilibrium system, which contains a unit volume of an aquifer and its pore fluid, and displaces the reacted fluid (rather than simply accumulating). I would check Section 2.2 of Craig Bethke's Geochemical and Biogeochemical Reaction Modeling textbook, as well as some of the examples in the Sediment Diagenesis and Petroleum Reservoirs chapters.

     

    Since you generally specify total component concentrations in the Basis pane, you don't need to add both CO2 and HCO3-. In fact, by specifying both, you simply overwrite the first input constraint. Try taking a look at Section 2 and Section 7 in the GWB Essentials Modeling Guide. If you take a look at the output from some of the examples, you'll see that the HCO3- component that you specify actually goes into forming all of the various possible carbonate species, including the free HCO3- and CO3-- ions and CO2(aq).

     

    If you look at Seawater example in Chapter 6 of the GBRM, you may ask why CO2 and HCO3- can both be in the Basis. In this case, CO2(g) is swapped in for the H+ component (not HCO3-). The reaction H+ + HCO3- = CO2(g) + H2O is used to fix pH (rather, the negative log activity of H+ ion), since the CO2(g) fugacity is known, and the activities of H2O and free HCO3- ion are calculated. This is different from what you appear to be trying.

     

    Simply assuming 1 mg/kg for all of your analytes is not typically the best thing to do. If you're considering Al in a dilute fluid, for example, you might want to specify a smaller concentration. Keep in mind too that the concentration of the oxygen component that you specify can have a large effect on your results - while 1 mg/kg O2(aq) may seem like a trivial value it actually denotes a specific redox state. Do you have any estimate of the redox state of your system? Is it open to the atmosphere? Any mineral buffer perhaps?

     

    Hope this helps,

    Brian

    Error: Didn't wake up, abandoning path

    in The Geochemist's Workbench

    Posted

    Hello

     

    Thank you for your reply. I'm using GWB Professional 9.0 (Build 4830) and it doesn't run this script.

     

    This is the overall procedure that I'm trying to do: I have one fluid composition and one mineral assemblage. First, I want to model the reaction between these fluid and mineral, and see the results. Then, I want to pick up the resulted minerals and model its reaction with the same fluid and I want to repeat this procedure several times. That is why it is separated to many steps. I wanted to make something like a package for fluid composition and mineral assemblage and simply enter one item instead of whole composition, but I couldn't do that. If there is a way to make it easier, please let me know.

     

    About CO2(aq) and HCO3-; I have both CO2(aq) and HCO3- in my basis, but I can not simply add CO2(aq) to the system and I have to swap it for something. That is why I swapped it for HCO3-.

     

    About whole the species with 1 mg/kg amount; actually, I don't have any species with 1 mg/kg amount, but the software forces me to have those species in my system to complete the reaction, so I had to add them with lowest possible amount.

     

    Thank you

    How can I set a name for a fluid?

    in The Geochemist's Workbench

    Posted

    I need to set a name for a brine in REACT. For example, I want to set the name "fluid1" for this brine:

     

    HCO3- = 49 mg/kg

    Ca++ = 6208 mg/kg

    Mg++ = 1023 mg/kg

    Na+ = 84814 mg/kg

    K+ = 857 mg/kg

    Cl- = 145973 mg/kg

    SO4-- = 159 mg/kg

    SiO2(aq) = 1 mg/kg

     

    and then just use the "fluid1" in the rest of my script instead of repeating whole the mixture. Is there any way to do this in REACT?

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