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bug in transport modeling output

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Ricardo Borba:
Dear David,

I noticed a strange behaviour in transport output modeling with respect to equilibrium phases and solution mixing information, could you please see if there are some problem with the code?

SOLUTION 0
    temp      25
    pH        3
    pe        4
    redox     pe
    units     mmol/kgw
    density   1
    Ca        40
    Cl        25 charge
    C         25 CO2(g)     -3.5
    -water    1 # kg




SELECTED_OUTPUT 1
    -file                 test transp 1.xls
    -reset                true
    -totals               Ca  Ba  Fe  Mg  Al  S  K
    -equilibrium_phases   Alunite  Barite  Calcite  Chlorite(14A)
                          Fe(OH)3(a)
END

SOLUTION 1-10
    temp      25
    pH        7
    pe        4
    redox     pe
    units     mmol/kgw
    density   1
    -water    1 # kg

EQUILIBRIUM_PHASES 1-10
    Alunite   0 10
    Barite    0 10
    Calcite   0 10
    Chlorite(14A) 0 10
    Fe(OH)3(a) 0 10

TRANSPORT
    -cells                 10
    -shifts                10
    -dispersivities        10*1

END

dlparkhurst:
You don't give much information about what is strange. Please explain.

Note that you haven't defined cell size, which defaults to 1 m. And you have defined a time step, which I think defaults to zero seconds. So, the velocity is infinite. That could cause something strange.

Ricardo Borba:
ok, thank you for your message. Let me explain, in output file in each transport step there isn´t the equilibrium phase module, just solution composition, description of solution, distribution of species and saturation indices. I doesn´t matter if you put time is 1 seconds, cell size 1m and idspesivity 1m or another value. If you could run this script you will see what is happen in output file. I tried past/attach it in the message without success.

SOLUTION 0
    temp      25
    pH        3
    pe        4
    redox     pe
    units     mmol/kgw
    density   1
    Ca        40
    Cl        25 charge
    C         25 CO2(g)     -3.5
    -water    1 # kg




SELECTED_OUTPUT 1
    -file                 test transp Parkhurst.xls
    -reset                true
    -totals               Ca  Ba  Fe  Mg  Al  S  K
    -equilibrium_phases   Alunite  Barite  Calcite  Chlorite(14A)
                          Fe(OH)3(a)
END

SOLUTION 1-10
    temp      25
    pH        7
    pe        4
    redox     pe
    units     mmol/kgw
    density   1
    -water    1 # kg

EQUILIBRIUM_PHASES 1-10
    Alunite   0 10
    Barite    0 10
    Calcite   0 10
    Chlorite(14A) 0 10
    Fe(OH)3(a) 0 10

TRANSPORT
    -cells                 10
    -shifts                10
    -time_step             1 # seconds
    -dispersivities        10*0.1
    -warnings              false

END

dlparkhurst:
Look at your output more carefully.

There is no output for EQUILIBRIUM_PHASES for solutions 0 and 11, which represent cells outside the transport column. Cells 1-10 have EQUILIBRIUM_PHASES output.

If you do not want to see cells 0 and 11, add the following to your TRANSPORT definition:


--- Code: ---    -print_cells           1-10

--- End code ---

Ricardo Borba:
Thank you for your answear, I know that in select output " test transp Parkhurst.xls" every thing is ok, but I mean that the bug occurs at phreeqc.pqo

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