Kinetic Reaction in iCP

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6 years 2 weeks ago #184 by Karimzadeh
Dear Friends,
hope you are doing well and everything is fine with you!
Does any of you have experience modelling a kinetic reaction with iCP? Should the rate equation be defined in the database file or in the input phreeqc file? I tried both but it seems to me that for both cases iCP does not read the rate equation.
best regards,
Lotfollah

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6 years 2 weeks ago #185 by bshafei
Replied by bshafei on topic Kinetic Reaction in iCP
Hello Lotfollah,
Benchmark example 4 of iCP includes a scenario of simulating a mixed kinetic-equilibrium problem. The kinetic rates are defined in the database file. In the example, 4 different reaction rates have been defined for K-feldespar, Albite, Illite and Pyrite in the phreeqc_mode database.

Best,
Babak
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6 years 2 weeks ago #186 by Karimzadeh
Replied by Karimzadeh on topic Kinetic Reaction in iCP
thanks Babak for your reply,
Actualy there is no enouph information in the Benchmarks section, but I could find useful details in Nardi et al. (2014).
cheers,
Lotfollah

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6 years 2 weeks ago #187 by snjaykdubey
Replied by snjaykdubey on topic Kinetic Reaction in iCP
I think u can keep rate in common database(i.e. Phreeqc dat file)
and you u can keep kinetics in input phreeqc (.pqi) file.
I think before running icp please make assure your phreeqc file for kinetics is running.
for me it work like that. If there is an error it wont run in ICP...
Goodluck :)

Kind regards,
Sanjay Dubey,
Nuclear Engineer,
(Final year Student, 2013-2015)
Ecole Des Mines De Nantes.
The following user(s) said Thank You: Karimzadeh

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6 years 2 weeks ago #188 by Karimzadeh
Replied by Karimzadeh on topic Kinetic Reaction in iCP
thanks Babak, thanks Sanjaykdubey,
rate reaction is defined in the database and kinetics is in phreeqc input file. I think problem is related to the time stepping in iCP , comsul and phreeqc input files. in the User's guide (page 14) it is written that for the kinetic reactions the iCP time step size is an important key parameter for the accuracy settings. do you ever have this experience? how can I define the time step size?
cheers,
Lotfollah :)

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6 years 2 weeks ago #189 by Karimzadeh
Replied by Karimzadeh on topic Kinetic Reaction in iCP
question is how to define a suitable time step size in the jason file? is it by try and error or any idea?

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