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Found 3 results

  1. Hello, I am interested in calculating the charge balance of some chemical analyses and representing them graphically (e.g. with a pie graph in units of meq). The question I have is how to represent species that can be present in multiple valences (e.g. Fe). The default for Fe in GSS is as Fe+++, which is likely to be true for some of my samples, but not all. Do I need to do a SpecE8 run first and specify some kind of redox conditions in order to have Fe as both Fe++ and Fe+++? This question would apply to other elements with multiple charge states. When I calculate charge balance within the GSS program, is a speciation calculation run for the solution? Thanks, Spencer
  2. This post covers two topics: charge balance and slide. Charge balance: I have tried a very simple solution pH 9, SiO2(aq) 1 mmol, precip on, suppress all, unsuppress SiO2(am) [i'm using the LLNL database]. When i run the solution in REACT or SPECI8, I get the message that the charge balance can not be determined because Cl is not in the input solution despite the solution being anion rich. Putting Cl in with it as charge balance gives the expected overload. Putting Na in gives me the same error but with Na as the problem. I have tried sneaking up on the solution by using no charge balance and determining the amount of cation (Na in this case) needed to get close to charge balance. With that amount of Na with charge balance gives me the same error. So, there is something I'm overlooking...but what? Slide: Ive tried to slide SiO2(aq) in the above and similar solutions only to be greeted with the error message "Exit: React stop: passem: bad basloc call" What is would like to do is to be able to slide SiO2(aq) from 1 umol to SiO2(am) saturation at constant pH (stabilized with a buffer e.g. TRIS) while calculating the initial reaction rate at each step for a silicate glass. I don't seem to be able to get beyond this error message even with a simple solution and no glass reacting just the simple solution from above. Thanks for your help.
  3. I'm working on adding ferrihydrite sorption parameters to the existing FeOH sorption database, but for some reason my reaction, which I believe is charge balanced, throws an error saying that it is not. I'm attempting to add parameter >(s)FeOHRa++, charge = 2, mole weight = 298.8543, log k = -6.66, dlogk/dt = 0, with >(s)FeOH = 1 and Ra++ = 1. Do you have any suggestions here on where I've gone astray? If I run a React sorption model with the equation as written, does GWB still consider it? Edit: I've added Ra++ to the existing Minteq database, and it's charge is set at +2, molar mass 226, element Ra. Thanks, Clark
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