ANITHM

Hello, Its been a long time. So thought of giving a gentle reminder on the issue that I have faced while performing my simulations. Thank you in advance. Regards, Anith

Hi there, I am trying to speciate co2 charged water related to my study. When I am doing the speciation without a charge balance, the solution has converged and is showing speciation with <1% of charge balance error. However, when I am trying to speciate the solution with Na-charge balance on, it is throwing an error, indicating: Residuals too large, 693-th interations. Largest residual Resid Resid/Totmol Cbasis Na+ 0.0731 1.14e+200 6.399e-202 Please suggest me how to overcome this problem. I have attached both the files for your reference. The database that I have used is thermo.dat CO2 charged water with charge balance.sp8 CO2 charged water without charge balance.sp8