Lennard's Profile - TOUGH User Community

Dear all, I have a question concerning the STIMAX parameter in the solute.inp file in record 3. As described in the TOUGHREACT V3.0 manual, STIMAX acts as:…

Lennard
9 yrs agoThu, February 18, 2016 at 1:26 PM UTC
1reply
978
TOUGHREACT

Re: Is there a limitation in the number of grid blocks to be printed out?

Hi Jaeshik, you can simply define the times of output in the flow.inp file. Then the spatial profiles of the components specified in solute.inp are written in the plot.out and solid.…

Lennard
9 yrs agoWed, February 17, 2016 at 9:03 AM UTC
TOUGHREACT
Reported - view

Re: Mass Balance for trace gases in TOUGHREACT V3-OMP

Dear all, I believe, I have found the reason for my mismatch observation. Obviously, it is connected with the formation of the dry-out zone. During the desiccation of a grid cell,…

Lennard
9 yrs agoFri, February 5, 2016 at 2:27 PM UTC
TOUGHREACT
Reported - view

How to handle time step control for proper chemistry computation?

Dear all, I am struggling with some Toughreact basics and maybe some of you can explain me shortly how to handle the time step control in a proper way to avoid mistakes and miscalculations.…

Lennard
9 yrs agoThu, January 14, 2016 at 6:54 AM UTC
635
TOUGHREACT

Re: restart with surface complexation

Hi Anthony, I did no simulations yet including surface complexation, but it happened several times to me that I forgot to remove the INCON block in the flow.inp file for restart runs.…

Lennard
9 yrs agoFri, December 11, 2015 at 8:55 AM UTC
TOUGHREACT
Reported - view

Re: Mass Balance for trace gases in TOUGHREACT V3-OMP

Hi Eric, thanks for your response! I will check the courant number, although I already limited the timesteps to 100s. One additional thing I was wondering about in the mass balance file is the…

Lennard
9 yrs agoFri, November 20, 2015 at 6:39 AM UTC
TOUGHREACT
Reported - view

Mass Balance for trace gases in TOUGHREACT V3-OMP

Dear colleagues, I stumbled about a little problem concerning the mass balance for trace gases using the new TOUGHREACT V3-OMP version. I am simulating the injection of CO2 containing trace gases…

Lennard
9 yrs agoThu, November 19, 2015 at 2:09 PM UTC
4replies
960
1
TOUGHREACT

Re: Changing boundary condition for chemistry in EOS3, TOUGHREACT

Dear Mapek, I would suggest to let your simulation run until your change point, then change the composition of your boundary cell manually in the savechem=inchem file,…

Lennard
9 yrs agoMon, October 12, 2015 at 11:05 AM UTC
TOUGHREACT
Reported - view

Re: Boundary water

Hi Luanjing, yes, this is correct. I assume, you chose the composition of the boundary water to be at equilibrium with CO2 under the prevailing condition?

Lennard
10 yrs agoThu, May 21, 2015 at 7:37 AM UTC
TOUGHREACT
Reported - view

Re: Timestep problems while including O2(g) in calculations (V3-OMP / ECO2N)

Hello Nic, thank you for your comments! It seems, as if there is a real limitation with this very small oxygen activities and the equilibrium between O2(aq) and O2(g).…

Lennard
10 yrs agoTue, January 27, 2015 at 10:59 AM UTC
TOUGHREACT
Reported - view

Re: Timestep problems while including O2(g) in calculations (V3-OMP / ECO2N)

Hi Nic, thank you for your response, but I believe that the notations in the chemical.inp file are correct: hence it is not yet the presence of O2(g), but simply the including in the calculations…

Lennard
10 yrs agoFri, January 23, 2015 at 8:06 AM UTC
TOUGHREACT
Reported - view

Timestep problems while including O2(g) in calculations (V3-OMP / ECO2N)

Hello everybody, I have found the next problem for you to resolve :-). I am using Toughreact V3.0-OMP, but the problem would appear with V2, too, I assume.…

Lennard
10 yrs agoThu, January 22, 2015 at 1:09 PM UTC
4replies
1296
1
TOUGHREACT

Re: Questions on aqueous kinetics, Sample Problem 10.

The answer to my question 4 is as follows. In the Toughreact V3-OMP manual - Draft (p. 37) the listing sequence is irkaq_typ, rkaq_logK, rkaq_cf (which is correct),…

Lennard
10 yrs agoMon, December 1, 2014 at 11:49 AM UTC
TOUGHREACT
Reported - view

Re: Questions on aqueous kinetics, Sample Problem 10.

One addendum: If I artificially change the value for the equilibrium constant from 31.076 to 2.0 or smaller, then the simulation runs. At values between 2.0 and 25.…

Lennard
10 yrs agoMon, December 1, 2014 at 10:44 AM UTC
TOUGHREACT
Reported - view

Re: Role of ico2h2o and mass balance

Hello Dirk, unfortunately I cannot answer your questions, but I encountered some mass balance problems with CO2, too. Maybe you can find some hints where to look at your simulation to find the…

Lennard
10 yrs agoMon, December 1, 2014 at 9:07 AM UTC
TOUGHREACT
Reported - view

Questions on aqueous kinetics, Sample Problem 10.

Hello everybody, I have some questions concerning the representation of aqueous kinetics reactions and especially the sample problem 10 from the Toughreact V3-OMP description. 1) In table 1.10-2 (p.…

Lennard
10 yrs agoThu, November 27, 2014 at 2:12 PM UTC
2replies
743
TOUGHREACT