knauss Posted June 5, 2015 Share Posted June 5, 2015 Not an extensive user of GWB and first attempt at a simple custom rate law. Have a quick question about syntax for using an affinity term. Test case is a simple dissolution of albite into a pH ~4 HCl solution. The react input attached called "2-mech.rea" uses the expression (1-Q/K) for this "affinity" term. Seems to run OK. The second input called "2-mech-affinity.rea" tries to use the helper function "logQoverK", which is defined as being "affinity" in the modeling guide. In this case I want to use the Aagaard & Helgeson form for the affinity term: (1-e^(-A/RT)), where A is the affinity. My syntax for this is clearly wrong, because the output shows the albite reaction rate for step #0 as being "-1.#IO". It appears to be running, but is just stuck at the first step. What would be the correct form for this? I'm guessing it's something quite simple that I've missed, being a newbie using custom rate laws in GWB. Thanks. 2-mech.rea 2-mech-affinity.rea Quote Link to comment Share on other sites More sharing options...
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