COPY and USE KINETICS?

[zsszabo86]

Hi!
I want to run a complex kinetic model where I first have
 
-a kinetic batch reaction between a mineral composition Kinetics 1 and a Solution 1, then
-I want to use the new mineral composition (after reaction with Solution 1) in a reaction with Solution 2 for a shorter time, then
-again the new mineral composition with Solution 1 for the original time again.

I tried it on many different ways using COPY and USE keywords and it does always only run the first batch reaction.

Here is an example:

SOLUTION 1
pH 7.46
temperature 11.40
units mg/L
Oxg 9.92
Na 37.9
K 2.52

KINETICS 1 #the RATE definitions are provided in the full code, but it is not relevant for this question
Albite
  -m0 0.6835
  -parms  262  0.16
 
Kaolinite
  -m0 0.2426
  -parms 258  5.1

Calcite
  -m0 10.4624
  -parms  100  0.2

  -cvode true
  -steps  900000 in 10 steps

COPY KINETICS 1 2

END

USE KINETICS 2

 -cvode true
 -steps  45000 in 10 steps

SOLUTION 2
pH 8.17
temperature 14.7
units mg/L
Oxg 10.57
Na 12.17
K 2.22

COPY KINETICS 2 3

END

USE KINETICS 3

 -cvode true
 -steps  900000 in 10 steps

USE SOLUTION 1

So I would like to follow the mineral composition changes through the whole sequence of reactions.
What is wrong with the way I am trying?

Many thanks for any suggestions!

[dlparkhurst]

It should have run several batch reactions, but it always ran for 900000 seconds. Look carefully at your output. At one point, it should have reacted kinetics with solution 2.

There should have been warning messages for these lines

 -cvode true
 -steps  45000 in 10 steps

because they are identifiers for the KINETICS data block and the previous data block is USE.

I think this is what you wanted. Note that it is not really necessary to COPY kinetics. Unlike other reactants that need to be SAVEd, KINETICS is automatically updated by reaction, so the state of KINETICS 1 is correct after the first batch reaction. So you could simply KINETICS_MODIFY 1 and then USE kinetics 1.

SOLUTION 1
pH 7.46
temperature 11.40
units mg/L
Oxg 9.92
Na 37.9
K 2.52
END
KINETICS 1 #the RATE definitions are provided in the full code, but it is not relevant for this question
Albite
  -m0 0.6835
  -parms  262  0.16
 
Kaolinite
  -m0 0.2426
  -parms 258  5.1

Calcite
  -m0 10.4624
  -parms  100  0.2

  -cvode true
  -steps  900000 in 10 steps
END
USE solution 1
USE kinetics 1
COPY kinetics 1 2
END

KINETICS_MODIFY 2
-steps 45000
END
SOLUTION 2
pH 8.17
temperature 14.7
units mg/L
Oxg 10.57
Na 12.17
K 2.22
END
USE solution 2
USE kinetics 2
COPY kinetics 2 3
END

KINETICS_MODIFY 3
-steps 900000
END
USE kinetics 3
USE solution 1
END

[zsszabo86]

Dear David! It seems working now! Thank you!

(Ps.: I am also using
 
PRINT
-selected_out true

to have all batch reactions in the printed file)

[dlparkhurst]

PRINT
-selected_out true

This is the default, so should not be necessary unless you have turned it false at some point.