Karen Johannesson Posted March 21, 2021 Share Posted March 21, 2021 I am trying to modify an x1t script that a colleagued used in a paper published in Applied Geochemistry back in 2015. He sent me the script, which I have renamed “Austin_Chalk_As.x1t”. This script is essentially identical to his script except for the new name, which at the moment doesn't represent the Austin Chalk. The script is from Lazareva et al. (2015). I am also including a modified version of the standard thermo.tdat database, which has a new “dummy mineral” called Arsenopyrite2, which is Arsenopyrite written in terms of SO4--/HS- instead of As(OH)4-/AsH3 to define redox dissolution. The FeOH.sdat called in the script is the standard Dzombak and Morel (1990) SCM database that comes with GWB. The FeOH+.sdat database also works. My question involves my wish to use my modified database “thermo_ThioOxyanion2.tdat”, in which I redefined the arsenic species basis from As(OH)4- to H2AsO3- and so forth, along with my version of the FeOH.sdat database to fit the new arsenic basis and to use the surface complexation constants from Dixit and Morel (2003) that I call “FeOH_Arsenic_HFO.sdat”. I have included these databases along with the script “Austin_Chalk_As_KJ.x1t”. The only difference between the “Austin_Chalk_As.x1t” and the “Austin_Chalk_As_KJ.x1t” scripts is that the later calls my modified aqueous and surface complexation databases. The problem I am having is that when I run the “Austin_Chalk_As_KJ.x1t”, it does not seem to include any of the surface reactions, whereas the “Austin_Chalk_As.x1t” model has no problem picking up the surface reactions. Do you have any clues as to why “Austin_Chalk_As_KJ.x1t” does not pick up the include any of the SCM reactions? It seems to be loading the surface data. I used both the “thermo_ThioOxyanion2.tdat” along with my modified “FeOH_Arsenic_HFO.sdat” in my paper Johannesson et al., (2019), and that model ran again the other day just fine. I am somewhat perplexed. Best wishes, Karen thermo_GKD.tdat thermo_ThioOxyanions2.tdat FeOH_Arsenic_HFO.sdat Austin_Chalk_As.x1t Austin_Chalk_As_KJ.x1t Quote Link to comment Share on other sites More sharing options...
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