RHGWBuser Posted January 6, 2014 Share Posted January 6, 2014 I am working in React (GWB Pro 9.0) and cannot enter Ripidolit-14A concentration in [cm3]. As a consequence, the output file does not contain data for delta [cm3] either. The entry for all other minerals works well. Have I come across a bug? Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted January 6, 2014 Share Posted January 6, 2014 Hi, I think the problem is that the entry for Ripidolit-14A in the thermo dataset you're using does not contain a molecular volume. Here's its entry in thermo.dat, the default GWB dataset: Ripidolit-14A type= chlorite formula= Fe2Mg3Al2Si3O10(OH)8 mole vol.= 0.000 cc mole wt.= 618.8810 g 6 species in reaction -16.000 H+ 2.000 Fe++ 3.000 SiO2(aq) 2.000 Al+++ 12.000 H2O 3.000 Mg++ 71.0206 61.9416 51.4522 42.0977 33.1873 26.2113 20.1188 13.4258 If you can find a value for the molecular volume in the literature, or estimate it from the mineral's density, then you can edit the thermo dataset in a program like Notepad and save it as a .dat file. It's generally a good idea to use a different name when modifying existing datasets. FYI, our upcoming release GWB 10 features a graphical editor for creating and modifying thermo datasets. Hope this helps, Brian Farrell Geochemist Aqueous Solutions LLC Quote Link to comment Share on other sites More sharing options...
RHGWBuser Posted January 7, 2014 Author Share Posted January 7, 2014 Brian, many thanks for your prompt response! I should have mentioned using thermo.dat. I entered and saved a mole volume of 233.54 cm3 for ripidolite-14A. It is now working nicely. Cheers! Quote Link to comment Share on other sites More sharing options...
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