Liheng

Thanks a lot for your relply. I am trying to figure out the reason as your suggestion. Thanks

Ok, that is very helpful. Thanks a lot~ I am reading the Chapter 5 of the GWB-RM Manu.

Hi, Jia. I am trying to the built-in in the React. However, as you know, when I consider the acidic mechanism, we need to give the hydrogen ion a power, which has the corresponding activation energy and reaction rate constant. However, in the React interface, only hydrogen ions can be selected, but the corresponding activation energy and reaction rate constant cannot be specified. Is it right? I can only do it by scripting it myself, right?

Hi, Jia. you can find the database from attchment. Thanks for your help thermo.250bars.04Nov22_1218.dat

That is great, I will try~

Hi, I am trying to build a model that describes flowing through a basalt core with a CO2-rich acidic fluid and observing mineral alteration processes. I would like to see the altered minerals ten years after the experiment, which is precisely the strength of numerical simulations. However, the reactive transport model built by X1t only ran for ten days, and then, it neither computed further nor terminated. Would you like to help me? > # X1t script, saved Wed Nov 9 2022 by wlhen > data = thermo.250bars.04Nov22_1218.tdat verify > conductivity = conductivity-USGS.dat > interval start at 0 day, fluid = inlet > time end at 1 day > length = 26 cm > Nx = 26 > discharge = 4.6627 cm3/cm2/hr > temperature = 150 C > scope = initial > H2O = 1 free kg > Al+++ = 7.49e-13 mmolal > Ba++ = .0771 mmolal > Ca++ = .203 mmolal > balance on Cl- > pH = 6.9514 > swap CO2(aq) for HCO3- > CO2(aq) = .21021 mmolal > Fe++ = 1.53e-16 mmolal > K+ = 3.02 mmolal > Mg++ = .01 mmolal > Na+ = 5.01 mmolal > O2(aq) = .001 mmolal > SiO2(aq) = .0056 mmolal > scope = inlet > H2O = 1 free kg > Al+++ = 7.49e-13 mmolal > Ba++ = .0771 mmolal > Ca++ = .2 mmolal > balance on Cl- > pH = 3.3 > swap CO2(aq) for HCO3- > CO2(aq) = 600 mmolal > Fe++ = 1.95e-10 mmolal > K+ = 3.02 mmolal > Mg++ = .01 mmolal > Na+ = 1000 mmolal > O2(aq) = .001 mmolal > SiO2(aq) = .0056 mmolal > scope > kinetic An70 51 volume% pre-exp = 2.80819e-6 act_eng = 42092 surface = 2508 > kinetic Di80Hed20 30 volume% pre-exp = 7.76247e-8 act_eng = 40600 surface = 2508 > kinetic Fo80 4 volume% pre-exp = 14.6 act_eng = 70400 surface = 2508 X1t > eventually, I have to break the model and get the message as follows: Step 1311961, Xi = 12.612 (Co = 1.000) Step 1311962, Xi = 12.612 (Co = 1.000) Step 1311963, Xi = 12.612 (Co = 1.000) Step 1311964, Xi = 12.612 (Co = 1.000) Step 1311965, Xi = 12.612 (Co = 1.000) Step 1311966, Xi = 12.612 (Co = 1.000) Step 1311967, Xi = 12.612 (Co = 1.000) Step 1311968, Xi = 12.612 (Co = 1.000) Step 1311969, Xi = 12.612 (Co = 1.000) Step 1311970, Xi = 12.612 (Co = 1.000) Step 1311971, Xi = 12.612 (Co = 1.000) Step 1311972, Xi = 12.612 (Co = 1.000) Step 1311973, Xi = 12.612 (Co = 1.000) Step 1311974, Xi = 12.612 (Co = 1.000) Step 1311975, Xi = 12.612 (Co = 1.000) Step 1311976, Xi = 12.612 (Co = 1.000) Step 1311977, Xi = 12.612 (Co = 1.000) Step 1311978, Xi = 12.612 (Co = 1.000) Step 1311979, Xi = 12.612 (Co = 1.000) Step 1311980, Xi = 12.612 (Co = 1.000) Step 1311981, Xi = 12.612 (Co = 1.000) Step 1311982, Xi = 12.612 (Co = 1.000) Step 1311983, Xi = 12.612 (Co = 1.000) Simulation required 12085.6 seconds of computing time (1480.4 seconds clock time): 8492.4 seconds solving chemical reaction equations, 2406.5 seconds solving transport equations, 1186.7 seconds performing other tasks. Simulation ran using 16 threads on 16 computing cores: CPU time Clock time Utilization Parallel 11437.7 s 820.7 s 1393.7 % Serial 648.0 s 659.8 s 98.2 % Total 12085.6 s 1480.4 s 816.4 %

Hi, Jia. would you like to share with me the code about how to combine the neutral mechanism, acid mechanism, and base mechanism when I use kinetic parameters?