yzdm Posted June 15, 2018 Share Posted June 15, 2018 Hi, recently, i would like to run a model of reactions between glass and water. Oxides are used as the reactants on behalf of glass. However, errors occurred when i ran the react like below: -- Error: Can't react B2O3(ox) because the system doesn't include B(OH)3(aq) -- Error: Can't react Li2O because the system doesn't include Li+ -- Error: Can't react MgO because the system doesn't include Mg++ -- Error: Can't react TiO2 because the system doesn't include Ti(OH)4(aq) -- Error: Can't react Cr2O3 because the system doesn't include CrO4-- -- Error: Can't react Cs2O because the system doesn't include Cs+ -- Error: Can't react F2(g) because the system doesn't include F- The react file and database are attached below. Species mentioned above "B(OH)3(aq), Li+, Mg++, Ti(OH)4(aq), CrO4--, Cs+, F-" are all under the 'Basis species' but none under the 'Aqueous species'. I suppose this may be the reason for errors. However, how can i solve this problem? prototype.rea thermo.com.V8.R6+1.tdat Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted June 15, 2018 Share Posted June 15, 2018 Hi, You can't add a reactant to a system unless that system already includes the components that make up the reactant. The components need to exist in the initial definition of the thermodynamic model, even if in a negligibly small concentration. All you have to do is set very small amounts of B(OH)3(aq), Li+, Mg++, etc. in the Basis. Hope this helps, Brian Farrell Aqueous Solutions LLC 1 Quote Link to comment Share on other sites More sharing options...
yzdm Posted June 16, 2018 Author Share Posted June 16, 2018 Hi Brian Farrell, Many thanks, everything goes well now! 10 hours ago, Brian Farrell said: Hi, You can't add a reactant to a system unless that system already includes the components that make up the reactant. The components need to exist in the initial definition of the thermodynamic model, even if in a negligibly small concentration. All you have to do is set very small amounts of B(OH)3(aq), Li+, Mg++, etc. in the Basis. Hope this helps, Brian Farrell Aqueous Solutions LLC Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted June 18, 2018 Share Posted June 18, 2018 I'm happy to hear you're all set. Regards, Brian Quote Link to comment Share on other sites More sharing options...
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