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Melika Sharifi

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  1. Hi Abdulaziz, The main purpose of The Geochemist’s Workbench® software package is geochemical reaction modeling and reactive transport modeling using parameters like rate constants and diffusion constants. You may estimate their optimum values by trial and error, though. For example, the Microbial Populations lesson on the GWB Online Academy describes how to adjust the rate constant to visually match experimental data. You can set most basis entries as bulk or free constraints. For a bulk constraint, the value you set refers to the entire thermodynamic component, whereas for a free constraint, it refers to the particular species only. The Ca++ component, for example, might include the Ca++ species, as well as Ca(OH)2(aq), CaHCO3(aq), etc. If you set 10 “mg/kg” Ca++, the concentration is for the sum of those species. If you set 10 “free mg/kg” Ca++, though, the concentration refers only to the individual Ca++ species. If you are looking at the reaction between the fluid, and the rock, as the fluid traverse through it, you don't probably need to equilibrate the fluid and rock. For more information, please read section 3.10 in the GWB Reaction Modeling Guide. In a spherical domain, the length of the domain is r2-r1. Please read section 3.1 in the GWB Reactive Transport Modeling Guide. In future, please don't post your question in different topics. If you need further help, please attach your script. Thanks, Melika Sharifi Aqueous Solutions LLC
  2. Melika Sharifi

    Results command ChemPlugin

    Hi Erik, You'll have to type: my_result = (cp[nx - 1].Report("concentration elements fluid Cupper", "moles")). Bests, Melika Sharifi Aqueous Solutions LLC
  3. Melika Sharifi

    can't retrieve H+ molal in python script

    Hi Helge, I'm not sure which dataset you are using, so I am not able to give you an exact response. It looks like in your script, you have not decoupled Tc(VII) from Tc(IV). If you use "aqueous" in your command, it will give you the free concentration of that specific species in solution. Consider thermo.tdat dataset when Fe(II) is not decoupled from Fe(III), myGWB.results('concentration aqueous Fe++', 'molal')[0], will give you the concentration of Fe++ aqueous species, and myGWB.results('concentration aqueous Fe+++', 'molal')[0] will give you the concentration of Fe+++ aqueous species. While myGWB.results('concentration Fe++', 'molal')[0], will give you the total concentration of component Fe(II), and myGWB.results('concentration Fe+++', 'molal')[0] will give you the total concentration of component Fe(III) (i.e. all species with Fe(III) such as Fe(OH)3, Fe+++, Fe2O3, etc). Hope this helps. Bests, Melika Sharifi Aqueous Solutions LLC
  4. Melika Sharifi

    can't retrieve H+ molal in python script

    Hi Helge, It will give you the total concentration of Tc in your system (all oxidation states), unless you have decoupled Tc(IV) from other states. Bests, Melika
  5. Melika Sharifi

    can't retrieve H+ molal in python script

    Hi Helge, Concentration H+, molal will give you the concentration of component H+ which refers to the sum of all species with H+, such as HSO4-, OH-, Mg(OH)3, etc. If you want to get the concentration of a particular species, such as H+ which is called free H+, you will need to add "aqueous" to your command (i.e. ('concentration aqueous H+', 'molal'). Hope this helps. Bests, Melika Sharifi Aqueous Solutions LLC
  6. Melika Sharifi

    Info on log Q/K for Mineral saturation Spec8?

    Hello, Log K values are derived from the thermo dataset used in the calculation. To see which dataset is currently loaded for your calculation in each app, go to File – File Properties – Thermo data. The Q values for a reaction, however, depend on the activities of species involved in that reaction which are dependent on the thermodynamic data for all other dissolved species in the solution matrix. To overall, Q is a quantity that changes as the reaction approaches equilibrium (K). Hope this helps. Bests, Melika Sharifi Aqueous Solutions LLC
  7. Melika Sharifi

    Residuals too large

    Dear Abelo, Please attach your script so we can take a look at it. Thanks, Melika Sharifi Aqueous Solutions LLC
  8. Dear Gustavo, The GWB comes with a set of thermo datasets that you can load each into any GWB app using File-->Open-->Thermo Data... . Thermo.com.V8.R6 dataset, for example, includes a couple of rare earth elements. To check the elements, basis species, redox couple, minerals, and gases included in each of the thermos datasets distributed by GWB, you can use TEdit app. If you can’t find a particular species, it’s a simple matter to add the necessary reactions and log Ks to the GWB thermo datasets. I think you will find TEdit app very useful for making these modifications. Sections 9.2.3 and 9.2.4 in the GWB Essentials Guide describe how to add reactions to your thermo dataset using TEdit. You can access the Users Guides from the Help menu of any GWB app. In future, please make sure that your question is posted in the main section of the GWB forum, and not the archive section. Bests, Melika Sharifi Aqueous Solutions LLC
  9. Melika Sharifi

    Activation code, new laptop

    Dear David, I'm sorry to hear about your laptop issues. I've reset your license from our end. You are all set to activate your license again. Bests, Melika Sharifi Aqueous Solutions LLC
  10. Melika Sharifi

    TMAH as basis in Spec8

    Hello, Each thermo dataset in the GWB has a set of basis species, redox species, aqueous species, minerals, oxides, and gases; you can load each into any GWB app using File--> Open--> Thermo Data... . In SpecE8 or any other apps in the GWB software, only basis species of the loaded thermo dataset are directly available on the pulldown list. You can alter the basis species to reflect the geochemical constraints in your system by clicking the pulldown next to the species and choosing the aqueous species of your interest. If you can not find the aqueous species of your interest in the database and are interested in adding new aqueous species/reactions along with their log Ks to each thermo dataset, you can use TEdit program which is a thermo data editor. Sections 9.2.3 and 9.2.4 in the GWB Essentials Guide describe how to add reactions to your thermo dataset using TEdit. Hope this helps. Bests, Melika Sharifi Aqueous Solutions LLC
  11. Melika Sharifi

    Log ratio activity in Act2

    Dear Mulyanto, Thank you for your question. You can certainly set activity ratios for X and Y axes in the Basis pane in Act2 program. To do so, you'll need to swap an activity ratio into the basis. For your problem, for example, you need to select "K+" for the x-axis species and "Na+" for the y-axis species, then click on the swap button next to each and select Ratio... . In the Species Activity Ratio box set H+ as the denominator with power 1. For more information, please read Using Act2 section in the GWB Essentials Guide. All GWB Users Guides can be accessed from the Help menu of any GWB app. Bests, Melika Sharifi Aqueous Solutions LLC
  12. Melika Sharifi

    Permeability Alteration

    Hello, Thanks for attaching your scripts. From your scripts, it looks like the concentration of some elements in the inlet fluid, such as silica SiO2(aq), is too high for seawater. Please double check the concentration of all elements and make sure you are using the correct unit. Hope this helps. Bests, Melika Sharifi Aqueous Solutions LLC
  13. Melika Sharifi

    Permeability Alteration

    Hello, In x2t, to plot porosity or permeability(along x or y), you can either plot them as a color map to see their variations over the domain at a specific time step. Or, you can plot them VS. time or position as an XY plot. Hope this helps. If you need more assistance, please attach your script so I can take a closer look at it. Thanks, Melika Sharifi Aqueous Solutions LLC
  14. Melika Sharifi

    Activation code not working

    Hello, I'm sorry to hear about your laptop. I've reset your license from our end. You should be all set to activate your license on your new laptop. Bests, Melika Sharifi Aqueous Solutions LLC
  15. Melika Sharifi

    Cannot paste GSS data into excel

    Hi Polo729, We are not sure what the problem could be. Please make sure that when you want to paste your data into Excel, you single left-click on a cell to select the cell. If you double click on a cell, and then paste your data, all your data will be pasted in that cell. Please let us know if you keep having any issues. Thanks, Melika Sharifi Aqueous Solutions LLC
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