Joel H Posted February 15, 2011 Share Posted February 15, 2011 Hi Tom et al., I am trying to add a number of mineral phases to the thermo.com.v8.r6+ database, and I am consistently getting error messages for two of the phases I have entered. I was wondering if someone could take a look at the following entries to see if I am doing something incorrectly: Sodic Sanidine type= Feldspar formula= K0.51Na0.45Ca0.04Al1.04Si2.96O8 mole vol.= 100.75 cc mole wt.= 270.061 g 7 species in reaction -4.1600 H+ 0.5100 K+ 0.0400 Ca++ 0.4500 Na+ 1.0400 Al+++ 2.9600 SiO2(aq) 2.0800 H2O 500.0000 1.3900 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 TiMt type= Spinel formula= Fe2.45Ti0.55O4 mole vol.= 45.25 cc mole wt.= 178.543 g 5 species in reaction -5.8000 H+ 1.5500 Fe++ 0.5500 Ti(OH)4(aq) 1.8000 H2O 0.9000 Fe+++ 500.0000 14.0200 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 As you can see, these are solid solutions. I am calculating log K's at 25C assuming ideal mixing after Gislason and Arnorsson (1993), Chemical Geology. I've input 5 other solid solutions and had no problem, but I get the following error messages for these two phases when I try to load the modified database: reaction mass imbalance for Sodic Sanidine = 1.02 Reaction = Sodic Sanidine + 4.16*H+ = .51*K+ + .04*Ca++ + .45*Na+ + 1.04*Al+++ + 2.96*SiO2(aq) + 2.08*H2O reaction mass imbalance for TiMt = 48.6 Reaction = TiMt + 5.8*H+ = 1.55*Fe++ + .55*Ti(OH)4(aq) + .9*Fe+++ + 1.8*H2O I'm guessing I've made a stupid math error somewhere when balancing my reactions, but I'll be darned if I can figure out where it is. Any help is greatly appreciated! Thanks, Joel Quote Link to comment Share on other sites More sharing options...
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