Hi Brian,
The built-in rate law doesn't work for our case, because the dissolution rates of the carbonates in our system are dependent on three promoting species with three sets of parameters (pre-exp, Ea and power)... we have to use script (or something similar, like equation or script file) to account for these effects.
At 25C, the script works because the carbonates are not fully consumed in the system, and the model finished without any problem. When T was increased to 80C or 100C, sulfides and carbonates react a lot faster, causing carbonates running very low after several days and model crashed soon due to convergence issue during the simulation. The testing x2t input file just provided an example for this.
We have to simulate higher temperature for this project, so your help to solve this problem is greatly appreciated.
Thanks and regards
Yuan