Carol M. Jantzen Posted June 24, 2021 Share Posted June 24, 2021 The zeolite20 database (attached) is free on the EMPA website. It says it is in Phreeqc format but it is Phreeqc for the EMPA software known as GEMS. The coefficients for each zeolite are the coefficients for the equation log K = a + b*(Tk-Tr) + c*(Tk^2-Tr^2)* + d*(1/Tk - 1/Tr) + e*(1/Tk^2 - 1/Tr^2) + f*ln(Tk/Tr). I noted that CEMDATA from the EMPA website was converted to GWB format using TEdit in GWB Release 15. I tried using TEdit and since this is a notepad text version of the database, TEdit does not recognize it as an acceptable database. And, I am at a loss as to how to convert the above equation into the GWB Log K polynomial temperature coefficients even though there is a tutorial in the comments in the CEMDATA GWB database. Since, this ZEO20 database would be useful for the entire geochemical community, can Aqueous Solutions convert this database and post it on your website. It only contains 20-25 zeolites, so it is not a large database However, for your consideration, there is a new ZEO19 database (I attach the reference) that is quite extensive. I have not found any electronic files associated with it and I was told by one of the co-authors that it runs only on the GEMS software. Zeolite-Na-Ca-Phreeqc version.txt 2020_Zhen-Wu et al_Nature_MatDegradation.pdf Quote Link to comment Share on other sites More sharing options...
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