Issue with OGS-PhreeqC coupling

Hi,

I have a question and I would be grateful if anyone can answer it.

I have a kinetic equation for urea degradation (trial_ogs3 attached file). When I run it using standalone phreeqC, I get the punched values for both tot(“Urea”) and kin(“urea_degradation”) (Please refer to the output file phout_sel).

However, when I use the coupled version OGS-PhreeqC (pds.pqc attached file) for the same phreeqC input file, only tot(“Urea”) is getting punched in the output file (phout_sel(1)) and kin(“urea_degradation”) is not getting punched. I want this to get punched in phout_sel file. What should I do? (I do not have any phase description for this kinetic equation)

I have added both Urea and urea_degradation as a component in .mcp file.

Thank you for you kind help in advance.

Sincerely,

Sumana Bhattacharya

phout_sel (1).dat (16.9 KB)

phout_sel.dat (0 Bytes)

trial_ogs3.pqi (915 Bytes)

pds.pqc (619 Bytes)

Hi Sumana,

you can punch any quantity from Phreeqc to OGS by adding the following commands to your *.pqc file:

     The new Keywords

ADDITIONAL_OUTPUT

     CO3-2 # comp

     HCO3- # comp

     a_HCO3- # comp

#ende

ADDITIONAL_PUNCH

     PUNCH MOL("CO3-2")

     PUNCH MOL("HCO3-")

     PUNCH ACT("HCO3-")

#ende

now allow output of other quantities than primary species concentrations from PHREEQC. For these quantities (e.g. concentrations of secondary species, activities, etc.), additional (immobile) components must be defined in OGS to store the output values, i.e. for the above example the components CO3-2, HCO3- and a_HCO3- have to be defnined. For each component in the ADDITIONAL_OUTPUT list a corresponding ADDITIONAL_PUNCH statement must be provided, which invokes output of the requested quantity from PHREEQC by means of the USER_PUNCH keyword. In the example, additional output are concentrations of CO3-2 and HCO3- complexes as well as the activity of the latter.

This was introduced in v5.5.0

Cheers, Christof

···

Am 15.04.2015 um 10:57 schrieb sumanab24:

Hi,

I have a question and I would be grateful if anyone can answer it.

I have a kinetic equation for urea degradation (trial_ogs3 attached
file). When I run it using standalone phreeqC, I get the punched values
for both tot("Urea") and kin("urea_degradation") (Please refer to the
output file phout_sel).

However, when I use the coupled version OGS-PhreeqC (pds.pqc attached
file) for the same phreeqC input file, only tot("Urea") is getting
punched in the output file (phout_sel(1)) and kin("urea_degradation") is
not getting punched. I want this to get punched in phout_sel file. What
should I do? (I do not have any phase description for this kinetic equation)

I have added both Urea and urea_degradation as a component in .mcp file.

Thank you for you kind help in advance.

Sincerely,
Sumana Bhattacharya

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--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone: +49(0)431-8803172
fax: +49(0)431-8807606
mobile: +49(0)176-24297908
email: christof.beyer@gpi.uni-kiel.de
home: http://www.ifg.uni-kiel.de/
_______________________________________

Dr. Beyer,

Does ADDITIONAL_PUNCH punch user defined kinetics also? It doesn’t seem to punch KIN(“urea_degradation”) for me.

Thank you for your kind reply.

Sincerely,

Sumana Bhattacharya

···

On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb wrote:

Hi Sumana,

you can punch any quantity from Phreeqc to OGS by adding the following
commands to your *.pqc file:

 The new Keywords

ADDITIONAL_OUTPUT

 CO3-2 # comp



 HCO3- # comp



 a_HCO3- # comp

#ende

ADDITIONAL_PUNCH

 PUNCH MOL("CO3-2")



 PUNCH MOL("HCO3-")



 PUNCH ACT("HCO3-")

#ende

now allow output of other quantities than primary species concentrations
from PHREEQC. For these quantities (e.g. concentrations of secondary
species, activities, etc.), additional (immobile) components must be
defined in OGS to store the output values, i.e. for the above example
the components CO3-2, HCO3- and a_HCO3- have to be defnined. For each
component in the ADDITIONAL_OUTPUT list a corresponding ADDITIONAL_PUNCH
statement must be provided, which invokes output of the requested
quantity from PHREEQC by means of the USER_PUNCH keyword. In the
example, additional output are concentrations of CO3-2 and HCO3-
complexes as well as the activity of the latter.

This was introduced in v5.5.0

Cheers, Christof

Am 15.04.2015 um 10:57 schrieb sumanab24:

Hi,

I have a question and I would be grateful if anyone can answer it.

I have a kinetic equation for urea degradation (trial_ogs3 attached

file). When I run it using standalone phreeqC, I get the punched values

for both tot(“Urea”) and kin(“urea_degradation”) (Please refer to the

output file phout_sel).

However, when I use the coupled version OGS-PhreeqC (pds.pqc attached

file) for the same phreeqC input file, only tot(“Urea”) is getting

punched in the output file (phout_sel(1)) and kin(“urea_degradation”) is

not getting punched. I want this to get punched in phout_sel file. What

should I do? (I do not have any phase description for this kinetic equation)

I have added both Urea and urea_degradation as a component in .mcp file.

Thank you for you kind help in advance.

Sincerely,

Sumana Bhattacharya

You received this message because you are subscribed to the Google

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Dr. Christof Beyer

Institute of Geosciences

Geohydromodelling

Christian-Albrechts-University Kiel

Ludewig-Meyn-Str. 10

24118 Kiel

Germany

phone: +49(0)431-8803172

fax: +49(0)431-8807606

mobile: +49(0)176-24297908

email: christo...@gpi.uni-kiel.de

home: http://www.ifg.uni-kiel.de/


Hi,
I guess so. It should punch any variable or parameter phreeqc can write in the selected output file. You need both statements;

ADDITIONAL_OUTPUT
...
#ende

ADDITIONAL_PUNCH
...
#ende

I have attached an example pqc file for you (benchmarks\C\Engesgaard\Additional_pqc_output). If you cannot make OGS-Phreeqc give you the data, I can check what's wrong if you provide me your inputs
Best regards, Christof

pds.pqc (682 Bytes)

···

Am 15.04.2015 um 12:06 schrieb sumanab24:

Dr. Beyer,

Does ADDITIONAL_PUNCH punch user defined kinetics also? It doesn't seem
to punch KIN("urea_degradation") for me.

Thank you for your kind reply.

Sincerely,
Sumana Bhattacharya

On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb wrote:

    Hi Sumana,

    you can punch any quantity from Phreeqc to OGS by adding the following
    commands to your *.pqc file:

          The new Keywords

    ADDITIONAL_OUTPUT

          CO3-2 # comp

          HCO3- # comp

          a_HCO3- # comp

    #ende

    ADDITIONAL_PUNCH

          PUNCH MOL("CO3-2")

          PUNCH MOL("HCO3-")

          PUNCH ACT("HCO3-")

    #ende

    now allow output of other quantities than primary species
    concentrations
    from PHREEQC. For these quantities (e.g. concentrations of secondary
    species, activities, etc.), additional (immobile) components must be
    defined in OGS to store the output values, i.e. for the above example
    the components CO3-2, HCO3- and a_HCO3- have to be defnined. For each
    component in the ADDITIONAL_OUTPUT list a corresponding
    ADDITIONAL_PUNCH
    statement must be provided, which invokes output of the requested
    quantity from PHREEQC by means of the USER_PUNCH keyword. In the
    example, additional output are concentrations of CO3-2 and HCO3-
    complexes as well as the activity of the latter.

    This was introduced in v5.5.0

    Cheers, Christof

    Am 15.04.2015 um 10:57 schrieb sumanab24:
     > Hi,
     >
     > I have a question and I would be grateful if anyone can answer it.
     >
     > I have a kinetic equation for urea degradation (trial_ogs3 attached
     > file). When I run it using standalone phreeqC, I get the punched
    values
     > for both tot("Urea") and kin("urea_degradation") (Please refer to
    the
     > output file phout_sel).
     >
     > However, when I use the coupled version OGS-PhreeqC (pds.pqc
    attached
     > file) for the same phreeqC input file, only tot("Urea") is getting
     > punched in the output file (phout_sel(1)) and
    kin("urea_degradation") is
     > not getting punched. I want this to get punched in phout_sel
    file. What
     > should I do? (I do not have any phase description for this
    kinetic equation)
     >
     > I have added both Urea and urea_degradation as a component in
    .mcp file.
     >
     > Thank you for you kind help in advance.
     >
     > Sincerely,
     > Sumana Bhattacharya
     >
     > --
     > You received this message because you are subscribed to the Google
     > Groups "ogs-users" group.
     > To unsubscribe from this group and stop receiving emails from it,
    send
     > an email to ogs-users+...@googlegroups.com <javascript:>
     > <mailto:ogs-users+...@googlegroups.com <javascript:>>.
     > For more options, visit https://groups.google.com/d/optout
    <https://groups.google.com/d/optout>.

    --
    _______________________________________
    Dr. Christof Beyer
    Institute of Geosciences
    Geohydromodelling
    Christian-Albrechts-University Kiel
    Ludewig-Meyn-Str. 10
    24118 Kiel
    Germany

    phone: +49(0)431-8803172
    fax: +49(0)431-8807606
    mobile: +49(0)176-24297908
    email: christo...@gpi.uni-kiel.de <javascript:>
    home: http://www.ifg.uni-kiel.de/
    _______________________________________

--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone: +49(0)431-8803172
fax: +49(0)431-8807606
mobile: +49(0)176-24297908
email: christof.beyer@gpi.uni-kiel.de
home: http://www.ifg.uni-kiel.de/
_______________________________________

Dr. Beyer,

Please find attached my input files. I am sorry that these are for Windows 64 bit OS (please rename the file pds.msp.txt to pds.msp).

Thank you very much for your kind help.

Sincerely,

Sumana Bhattacharya

pds.bc (749 Bytes)

pds.gli (365 Bytes)

pds.ic (880 Bytes)

pds.mcp (932 Bytes)

pds.mfp (481 Bytes)

pds.mmp (1.53 KB)

pds.msh (2.72 KB)

pds.num (1.53 KB)

pds.out (1021 Bytes)

pds.pcs (484 Bytes)

pds.pqc (703 Bytes)

pds.rei (309 Bytes)

pds.rfe (73 Bytes)

pds.st (258 Bytes)

pds.tim (303 Bytes)

phinp.dat (64.4 KB)

phinp.out (565 KB)

phout_sel (1).dat (16.9 KB)

phreeqc.dat (26.5 KB)

phreeqc.log (0 Bytes)

profile.lay (17.1 KB)

pds.msp.txt (1.16 KB)

···

On Wednesday, April 15, 2015 at 3:52:29 PM UTC+5:30, cb wrote:

Hi,

I guess so. It should punch any variable or parameter phreeqc can write
in the selected output file. You need both statements;

ADDITIONAL_OUTPUT

#ende

ADDITIONAL_PUNCH

#ende

I have attached an example pqc file for you
(benchmarks\C\Engesgaard\Additional_pqc_output). If you cannot make
OGS-Phreeqc give you the data, I can check what’s wrong if you provide
me your inputs

Best regards, Christof

Am 15.04.2015 um 12:06 schrieb sumanab24:

Dr. Beyer,

Does ADDITIONAL_PUNCH punch user defined kinetics also? It doesn’t seem

to punch KIN(“urea_degradation”) for me.

Thank you for your kind reply.

Sincerely,

Sumana Bhattacharya

On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb wrote:

Hi Sumana,
you can punch any quantity from Phreeqc to OGS by adding the following
commands to your *.pqc file:
      The new Keywords
ADDITIONAL_OUTPUT
      CO3-2 # comp
      HCO3- # comp
      a_HCO3- # comp
#ende
ADDITIONAL_PUNCH
      PUNCH MOL("CO3-2")
      PUNCH MOL("HCO3-")
      PUNCH ACT("HCO3-")
#ende
now allow output of other quantities than primary species
concentrations
from PHREEQC. For these quantities (e.g. concentrations of secondary
species, activities, etc.), additional (immobile) components must be
defined in OGS to store the output values, i.e. for the above example
the components CO3-2, HCO3- and a_HCO3- have to be defnined. For each
component in the ADDITIONAL_OUTPUT list a corresponding
ADDITIONAL_PUNCH
statement must be provided, which invokes output of the requested
quantity from PHREEQC by means of the USER_PUNCH keyword. In the
example, additional output are concentrations of CO3-2 and HCO3-
complexes as well as the activity of the latter.
This was introduced in v5.5.0
Cheers, Christof
Am 15.04.2015 um 10:57 schrieb sumanab24:
 > Hi,
 >
 > I have a question and I would be grateful if anyone can answer it.
 >
 > I have a kinetic equation for urea degradation (trial_ogs3 attached
 > file). When I run it using standalone phreeqC, I get the punched
values
 > for both tot("Urea") and kin("urea_degradation") (Please refer to
the
 > output file phout_sel).
 >
 > However, when I use the coupled version OGS-PhreeqC (pds.pqc
attached
 > file) for the same phreeqC input file, only tot("Urea") is getting
 > punched in the output file (phout_sel(1)) and
kin("urea_degradation") is
 > not getting punched. I want this to get punched in phout_sel
file. What
 > should I do? (I do not have any phase description for this
kinetic equation)
 >
 > I have added both Urea and urea_degradation as a component in
.mcp file.
 >
 > Thank you for you kind help in advance.
 >
 > Sincerely,
 > Sumana Bhattacharya
 >
 > --
 > You received this message because you are subscribed to the Google
 > Groups "ogs-users" group.
 > To unsubscribe from this group and stop receiving emails from it,
send
 > an email to ogs-users+...@googlegroups.com <javascript:>
 > <mailto:ogs-users+...@googlegroups.com <javascript:>>.
 > For more options, visit [https://groups.google.com/d/optout](https://groups.google.com/d/optout)
<[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>.
--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany
phone:  +49(0)431-8803172
fax:    +49(0)431-8807606
mobile: +49(0)176-24297908
email: christo...@gpi.uni-kiel.de <javascript:>
home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
_______________________________________


Dr. Christof Beyer

Institute of Geosciences

Geohydromodelling

Christian-Albrechts-University Kiel

Ludewig-Meyn-Str. 10

24118 Kiel

Germany

phone: +49(0)431-8803172

fax: +49(0)431-8807606

mobile: +49(0)176-24297908

email: christo...@gpi.uni-kiel.de

home: http://www.ifg.uni-kiel.de/


Hi Sumana,

just as in the SOLUTION section of your *.pqc file, you have to add
"# comp"
after Urea_degradation:

ADDITIONAL_OUTPUT
Urea_degradation # comp

This will specify for ogs that "Urea_degradation" is the name of a (dummy) component which will store the information from the requested Phreeqc output. If you ommit this indicator, ogs will ignore the ADDITIONAL_OUTPUT request and the corresponding PUNCH command is not written into the phinp.dat file.

Let me know if this fixed your problem,
Christof

···

Am 15.04.2015 um 12:46 schrieb sumanab24:

Dr. Beyer,

Please find attached my input files. I am sorry that these are for
Windows 64 bit OS (please rename the file pds.msp.txt to pds.msp).

Thank you very much for your kind help.
Sincerely,
Sumana Bhattacharya

On Wednesday, April 15, 2015 at 3:52:29 PM UTC+5:30, cb wrote:

    Hi,
    I guess so. It should punch any variable or parameter phreeqc can write
    in the selected output file. You need both statements;

    ADDITIONAL_OUTPUT
    ...
    #ende

    ADDITIONAL_PUNCH
    ...
    #ende

    I have attached an example pqc file for you
    (benchmarks\C\Engesgaard\Additional_pqc_output). If you cannot make
    OGS-Phreeqc give you the data, I can check what's wrong if you provide
    me your inputs
    Best regards, Christof

    Am 15.04.2015 um 12:06 schrieb sumanab24:
     > Dr. Beyer,
     >
     > Does ADDITIONAL_PUNCH punch user defined kinetics also? It
    doesn't seem
     > to punch KIN("urea_degradation") for me.
     >
     > Thank you for your kind reply.
     >
     > Sincerely,
     > Sumana Bhattacharya
     >
     > On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb wrote:
     >
     > Hi Sumana,
     >
     > you can punch any quantity from Phreeqc to OGS by adding the
    following
     > commands to your *.pqc file:
     >
     > The new Keywords
     >
     > ADDITIONAL_OUTPUT
     >
     > CO3-2 # comp
     >
     > HCO3- # comp
     >
     > a_HCO3- # comp
     >
     > #ende
     >
     > ADDITIONAL_PUNCH
     >
     > PUNCH MOL("CO3-2")
     >
     > PUNCH MOL("HCO3-")
     >
     > PUNCH ACT("HCO3-")
     >
     > #ende
     >
     > now allow output of other quantities than primary species
     > concentrations
     > from PHREEQC. For these quantities (e.g. concentrations of
    secondary
     > species, activities, etc.), additional (immobile) components
    must be
     > defined in OGS to store the output values, i.e. for the above
    example
     > the components CO3-2, HCO3- and a_HCO3- have to be defnined.
    For each
     > component in the ADDITIONAL_OUTPUT list a corresponding
     > ADDITIONAL_PUNCH
     > statement must be provided, which invokes output of the
    requested
     > quantity from PHREEQC by means of the USER_PUNCH keyword. In the
     > example, additional output are concentrations of CO3-2 and HCO3-
     > complexes as well as the activity of the latter.
     >
     > This was introduced in v5.5.0
     >
     > Cheers, Christof
     >
     > Am 15.04.2015 um 10:57 schrieb sumanab24:
     > > Hi,
     > >
     > > I have a question and I would be grateful if anyone can
    answer it.
     > >
     > > I have a kinetic equation for urea degradation (trial_ogs3
    attached
     > > file). When I run it using standalone phreeqC, I get the
    punched
     > values
     > > for both tot("Urea") and kin("urea_degradation") (Please
    refer to
     > the
     > > output file phout_sel).
     > >
     > > However, when I use the coupled version OGS-PhreeqC (pds.pqc
     > attached
     > > file) for the same phreeqC input file, only tot("Urea") is
    getting
     > > punched in the output file (phout_sel(1)) and
     > kin("urea_degradation") is
     > > not getting punched. I want this to get punched in phout_sel
     > file. What
     > > should I do? (I do not have any phase description for this
     > kinetic equation)
     > >
     > > I have added both Urea and urea_degradation as a component in
     > .mcp file.
     > >
     > > Thank you for you kind help in advance.
     > >
     > > Sincerely,
     > > Sumana Bhattacharya
     > >
     > > --
     > > You received this message because you are subscribed to
    the Google
     > > Groups "ogs-users" group.
     > > To unsubscribe from this group and stop receiving emails
    from it,
     > send
     > > an email to ogs-users+...@googlegroups.com <javascript:>
     > > <mailto:ogs-users+...@googlegroups.com <javascript:>>.
     > > For more options, visit https://groups.google.com/d/optout
    <https://groups.google.com/d/optout>
     > <https://groups.google.com/d/optout
    <https://groups.google.com/d/optout>>.
     >
     > --
     > _______________________________________
     > Dr. Christof Beyer
     > Institute of Geosciences
     > Geohydromodelling
     > Christian-Albrechts-University Kiel
     > Ludewig-Meyn-Str. 10
     > 24118 Kiel
     > Germany
     >
     > phone: +49(0)431-8803172
     > fax: +49(0)431-8807606
     > mobile: +49(0)176-24297908
     > email: christo...@gpi.uni-kiel.de <javascript:>
     > home: http://www.ifg.uni-kiel.de/
     > _______________________________________
     >

    --
    _______________________________________
    Dr. Christof Beyer
    Institute of Geosciences
    Geohydromodelling
    Christian-Albrechts-University Kiel
    Ludewig-Meyn-Str. 10
    24118 Kiel
    Germany

    phone: +49(0)431-8803172
    fax: +49(0)431-8807606
    mobile: +49(0)176-24297908
    email: christo...@gpi.uni-kiel.de <javascript:>
    home: http://www.ifg.uni-kiel.de/
    _______________________________________

--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone: +49(0)431-8803172
fax: +49(0)431-8807606
mobile: +49(0)176-24297908
email: christof.beyer@gpi.uni-kiel.de
home: http://www.ifg.uni-kiel.de/
_______________________________________

Dr. Beyer,

Yes, it does. Thank you so much. Sorry I was not clear about the usage of #comp.

Thank you so much for the help.

Sincerely,

Sumana Bhattacharya

···

On Wednesday, April 15, 2015 at 6:20:03 PM UTC+5:30, cb wrote:

Hi Sumana,

just as in the SOLUTION section of your *.pqc file, you have to add

“# comp”

after Urea_degradation:

ADDITIONAL_OUTPUT

Urea_degradation # comp

This will specify for ogs that “Urea_degradation” is the name of a
(dummy) component which will store the information from the requested
Phreeqc output. If you ommit this indicator, ogs will ignore the
ADDITIONAL_OUTPUT request and the corresponding PUNCH command is not
written into the phinp.dat file.

Let me know if this fixed your problem,

Christof

Am 15.04.2015 um

12:46 schrieb sumanab24:

Dr. Beyer,

Please find attached my input files. I am sorry that these are for

Windows 64 bit OS (please rename the file pds.msp.txt to pds.msp).

Thank you very much for your kind help.

Sincerely,

Sumana Bhattacharya

On Wednesday, April 15, 2015 at 3:52:29 PM UTC+5:30, cb wrote:

Hi,
I guess so. It should punch any variable or parameter phreeqc can write
in the selected output file. You need both statements;
ADDITIONAL_OUTPUT
...
#ende
ADDITIONAL_PUNCH
...
#ende
I have attached an example pqc file for you
(benchmarks\C\Engesgaard\Additional_pqc_output). If you cannot make
OGS-Phreeqc give you the data, I can check what's wrong if you provide
me your inputs
Best regards, Christof
Am 15.04.2015 um 12:06 schrieb sumanab24:
 > Dr. Beyer,
 >
 > Does ADDITIONAL_PUNCH punch user defined kinetics also? It
doesn't seem
 > to punch KIN("urea_degradation") for me.
 >
 > Thank you for your kind reply.
 >
 > Sincerely,
 > Sumana Bhattacharya
 >
 > On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb wrote:
 >
 >     Hi Sumana,
 >
 >     you can punch any quantity from Phreeqc to OGS by adding the
following
 >     commands to your *.pqc file:
 >
 >           The new Keywords
 >
 >     ADDITIONAL_OUTPUT
 >
 >           CO3-2 # comp
 >
 >           HCO3- # comp
 >
 >           a_HCO3- # comp
 >
 >     #ende
 >
 >     ADDITIONAL_PUNCH
 >
 >           PUNCH MOL("CO3-2")
 >
 >           PUNCH MOL("HCO3-")
 >
 >           PUNCH ACT("HCO3-")
 >
 >     #ende
 >
 >     now allow output of other quantities than primary species
 >     concentrations
 >     from PHREEQC. For these quantities (e.g. concentrations of
secondary
 >     species, activities, etc.), additional (immobile) components
must be
 >     defined in OGS to store the output values, i.e. for the above
example
 >     the components CO3-2, HCO3- and a_HCO3- have to be defnined.
For each
 >     component in the ADDITIONAL_OUTPUT list a corresponding
 >     ADDITIONAL_PUNCH
 >     statement must be provided, which invokes output of the
requested
 >     quantity from PHREEQC by means of the USER_PUNCH keyword. In the
 >     example, additional output are concentrations of CO3-2 and HCO3-
 >     complexes as well as the activity of the latter.
 >
 >     This was introduced in v5.5.0
 >
 >     Cheers, Christof
 >
 >     Am 15.04.2015 um 10:57 schrieb sumanab24:
 >      > Hi,
 >      >
 >      > I have a question and I would be grateful if anyone can
answer it.
 >      >
 >      > I have a kinetic equation for urea degradation (trial_ogs3
attached
 >      > file). When I run it using standalone phreeqC, I get the
punched
 >     values
 >      > for both tot("Urea") and kin("urea_degradation") (Please
refer to
 >     the
 >      > output file phout_sel).
 >      >
 >      > However, when I use the coupled version OGS-PhreeqC (pds.pqc
 >     attached
 >      > file) for the same phreeqC input file, only tot("Urea") is
getting
 >      > punched in the output file (phout_sel(1)) and
 >     kin("urea_degradation") is
 >      > not getting punched. I want this to get punched in phout_sel
 >     file. What
 >      > should I do? (I do not have any phase description for this
 >     kinetic equation)
 >      >
 >      > I have added both Urea and urea_degradation as a component in
 >     .mcp file.
 >      >
 >      > Thank you for you kind help in advance.
 >      >
 >      > Sincerely,
 >      > Sumana Bhattacharya
 >      >
 >      > --
 >      > You received this message because you are subscribed to
the Google
 >      > Groups "ogs-users" group.
 >      > To unsubscribe from this group and stop receiving emails
from it,
 >     send
 >      > an email to ogs-users+...@googlegroups.com <javascript:>
 >      > <mailto:ogs-users+...@googlegroups.com <javascript:>>.
 >      > For more options, visit [https://groups.google.com/d/optout](https://groups.google.com/d/optout)
<[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>
 >     <[https://groups.google.com/d/optout](https://groups.google.com/d/optout)
<[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>>.
 >
 >     --
 >     _______________________________________
 >     Dr. Christof Beyer
 >     Institute of Geosciences
 >     Geohydromodelling
 >     Christian-Albrechts-University Kiel
 >     Ludewig-Meyn-Str. 10
 >     24118 Kiel
 >     Germany
 >
 >     phone:  +49(0)431-8803172
 >     fax:    +49(0)431-8807606
 >     mobile: +49(0)176-24297908
 >     email: christo...@gpi.uni-kiel.de <javascript:>
 >     home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
 >     _______________________________________
 >
--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany
phone:  +49(0)431-8803172
fax:    +49(0)431-8807606
mobile: +49(0)176-24297908
email: christo...@gpi.uni-kiel.de <javascript:>
home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
_______________________________________


Dr. Christof Beyer

Institute of Geosciences

Geohydromodelling

Christian-Albrechts-University Kiel

Ludewig-Meyn-Str. 10

24118 Kiel

Germany

phone: +49(0)431-8803172

fax: +49(0)431-8807606

mobile: +49(0)176-24297908

email: christo...@gpi.uni-kiel.de

home: http://www.ifg.uni-kiel.de/


your welcome, christof

···

Am 15.04.2015 um 15:47 schrieb sumanab24:

Dr. Beyer,

Yes, it does. Thank you so much. Sorry I was not clear about the usage
of #comp.

Thank you so much for the help.
Sincerely,
Sumana Bhattacharya

On Wednesday, April 15, 2015 at 6:20:03 PM UTC+5:30, cb wrote:

    Hi Sumana,

    just as in the SOLUTION section of your *.pqc file, you have to add
    "# comp"
    after Urea_degradation:

    ADDITIONAL_OUTPUT
    Urea_degradation # comp

    This will specify for ogs that "Urea_degradation" is the name of a
    (dummy) component which will store the information from the requested
    Phreeqc output. If you ommit this indicator, ogs will ignore the
    ADDITIONAL_OUTPUT request and the corresponding PUNCH command is not
    written into the phinp.dat file.

    Let me know if this fixed your problem,
    Christof

    Am 15.04.2015 um > > > > 12:46 schrieb sumanab24:
     > Dr. Beyer,
     >
     > Please find attached my input files. I am sorry that these are for
     > Windows 64 bit OS (please rename the file pds.msp.txt to pds.msp).
     >
     > Thank you very much for your kind help.
     > Sincerely,
     > Sumana Bhattacharya
     >
     > On Wednesday, April 15, 2015 at 3:52:29 PM UTC+5:30, cb wrote:
     >
     > Hi,
     > I guess so. It should punch any variable or parameter phreeqc
    can write
     > in the selected output file. You need both statements;
     >
     > ADDITIONAL_OUTPUT
     > ...
     > #ende
     >
     > ADDITIONAL_PUNCH
     > ...
     > #ende
     >
     > I have attached an example pqc file for you
     > (benchmarks\C\Engesgaard\Additional_pqc_output). If you
    cannot make
     > OGS-Phreeqc give you the data, I can check what's wrong if
    you provide
     > me your inputs
     > Best regards, Christof
     >
     > Am 15.04.2015 um 12:06 schrieb sumanab24:
     > > Dr. Beyer,
     > >
     > > Does ADDITIONAL_PUNCH punch user defined kinetics also? It
     > doesn't seem
     > > to punch KIN("urea_degradation") for me.
     > >
     > > Thank you for your kind reply.
     > >
     > > Sincerely,
     > > Sumana Bhattacharya
     > >
     > > On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb > wrote:
     > >
     > > Hi Sumana,
     > >
     > > you can punch any quantity from Phreeqc to OGS by
    adding the
     > following
     > > commands to your *.pqc file:
     > >
     > > The new Keywords
     > >
     > > ADDITIONAL_OUTPUT
     > >
     > > CO3-2 # comp
     > >
     > > HCO3- # comp
     > >
     > > a_HCO3- # comp
     > >
     > > #ende
     > >
     > > ADDITIONAL_PUNCH
     > >
     > > PUNCH MOL("CO3-2")
     > >
     > > PUNCH MOL("HCO3-")
     > >
     > > PUNCH ACT("HCO3-")
     > >
     > > #ende
     > >
     > > now allow output of other quantities than primary species
     > > concentrations
     > > from PHREEQC. For these quantities (e.g.
    concentrations of
     > secondary
     > > species, activities, etc.), additional (immobile)
    components
     > must be
     > > defined in OGS to store the output values, i.e. for
    the above
     > example
     > > the components CO3-2, HCO3- and a_HCO3- have to be
    defnined.
     > For each
     > > component in the ADDITIONAL_OUTPUT list a corresponding
     > > ADDITIONAL_PUNCH
     > > statement must be provided, which invokes output of the
     > requested
     > > quantity from PHREEQC by means of the USER_PUNCH
    keyword. In the
     > > example, additional output are concentrations of CO3-2
    and HCO3-
     > > complexes as well as the activity of the latter.
     > >
     > > This was introduced in v5.5.0
     > >
     > > Cheers, Christof
     > >
     > > Am 15.04.2015 um 10:57 schrieb sumanab24:
     > > > Hi,
     > > >
     > > > I have a question and I would be grateful if anyone
    can
     > answer it.
     > > >
     > > > I have a kinetic equation for urea degradation
    (trial_ogs3
     > attached
     > > > file). When I run it using standalone phreeqC, I
    get the
     > punched
     > > values
     > > > for both tot("Urea") and kin("urea_degradation")
    (Please
     > refer to
     > > the
     > > > output file phout_sel).
     > > >
     > > > However, when I use the coupled version OGS-PhreeqC
    (pds.pqc
     > > attached
     > > > file) for the same phreeqC input file, only
    tot("Urea") is
     > getting
     > > > punched in the output file (phout_sel(1)) and
     > > kin("urea_degradation") is
     > > > not getting punched. I want this to get punched in
    phout_sel
     > > file. What
     > > > should I do? (I do not have any phase description
    for this
     > > kinetic equation)
     > > >
     > > > I have added both Urea and urea_degradation as a
    component in
     > > .mcp file.
     > > >
     > > > Thank you for you kind help in advance.
     > > >
     > > > Sincerely,
     > > > Sumana Bhattacharya
     > > >
     > > > --
     > > > You received this message because you are
    subscribed to
     > the Google
     > > > Groups "ogs-users" group.
     > > > To unsubscribe from this group and stop receiving
    emails
     > from it,
     > > send
     > > > an email to ogs-users+...@googlegroups.com
    <javascript:>
     > > > <mailto:ogs-users+...@googlegroups.com <javascript:>>.
     > > > For more options, visit
    https://groups.google.com/d/optout
     > <https://groups.google.com/d/optout
    <https://groups.google.com/d/optout>>
     > > <https://groups.google.com/d/optout
    <https://groups.google.com/d/optout>
     > <https://groups.google.com/d/optout
    <https://groups.google.com/d/optout>>>.
     > >
     > > --
     > > _______________________________________
     > > Dr. Christof Beyer
     > > Institute of Geosciences
     > > Geohydromodelling
     > > Christian-Albrechts-University Kiel
     > > Ludewig-Meyn-Str. 10
     > > 24118 Kiel
     > > Germany
     > >
     > > phone: +49(0)431-8803172
     > > fax: +49(0)431-8807606
     > > mobile: +49(0)176-24297908
     > > email: christo...@gpi.uni-kiel.de <javascript:>
     > > home: http://www.ifg.uni-kiel.de/
     > > _______________________________________
     > >
     >
     > --
     > _______________________________________
     > Dr. Christof Beyer
     > Institute of Geosciences
     > Geohydromodelling
     > Christian-Albrechts-University Kiel
     > Ludewig-Meyn-Str. 10
     > 24118 Kiel
     > Germany
     >
     > phone: +49(0)431-8803172
     > fax: +49(0)431-8807606
     > mobile: +49(0)176-24297908
     > email: christo...@gpi.uni-kiel.de <javascript:>
     > home: http://www.ifg.uni-kiel.de/
     > _______________________________________
     >

    --
    _______________________________________
    Dr. Christof Beyer
    Institute of Geosciences
    Geohydromodelling
    Christian-Albrechts-University Kiel
    Ludewig-Meyn-Str. 10
    24118 Kiel
    Germany

    phone: +49(0)431-8803172
    fax: +49(0)431-8807606
    mobile: +49(0)176-24297908
    email: christo...@gpi.uni-kiel.de <javascript:>
    home: http://www.ifg.uni-kiel.de/
    _______________________________________

--
You received this message because you are subscribed to the Google
Groups "ogs-users" group.
To unsubscribe from this group and stop receiving emails from it, send
an email to ogs-users+unsubscribe@googlegroups.com
<mailto:ogs-users+unsubscribe@googlegroups.com>.
For more options, visit https://groups.google.com/d/optout.

--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone: +49(0)431-8803172
fax: +49(0)431-8807606
mobile: +49(0)176-24297908
email: christof.beyer@gpi.uni-kiel.de
home: http://www.ifg.uni-kiel.de/
_______________________________________

Dear Dr. Beyer,

I am facing an issue with this problem which I did not notice earlier.

Please find my model in the attached zip file. Here in the output file phout_sel.txt I can see that the punched values of tot(‘Urea’) and KIN(“Urea_degradation”) are basically the same. KIN(‘Urea_degradation’) is punched one node ahead of tot(‘Urea’).

But when I run the same PhreeqC file (attached), I get the attached phout_sel.txt file where these quantities are different. One is decreasing (being depleted) and another is increasing (being produced).

Would you please help me to find out where I am mistaking?

Thank you so much for your help.

Sincerely,

Sumana Bhattacharya

trial_ogs3.pqi (915 Bytes)

Urea_degradation.zip (1.18 MB)

phout_sel.dat (936 Bytes)

···

On Wednesday, April 15, 2015 at 7:18:46 PM UTC+5:30, cb wrote:

your welcome, christof

Am 15.04.2015 um 15:47 schrieb sumanab24:

Dr. Beyer,

Yes, it does. Thank you so much. Sorry I was not clear about the usage
of #comp.

Thank you so much for the help.
Sincerely,
Sumana Bhattacharya

On Wednesday, April 15, 2015 at 6:20:03 PM UTC+5:30, cb wrote:

Hi Sumana,

just as in the SOLUTION section of your *.pqc file, you have to add
"# comp"
after Urea_degradation:

ADDITIONAL_OUTPUT
Urea_degradation # comp

This will specify for ogs that "Urea_degradation" is the name of a
(dummy) component which will store the information from the requested
Phreeqc output. If you ommit this indicator, ogs will ignore the
ADDITIONAL_OUTPUT request and the corresponding PUNCH command is not
written into the phinp.dat file.

Let me know if this fixed your problem,
Christof




Am 15.04.2015 um > > > > > > > >     12:46 schrieb sumanab24:
 > Dr. Beyer,
 >
 > Please find attached my input files. I am sorry that these are for
 > Windows 64 bit OS (please rename the file pds.msp.txt to pds.msp).
 >
 > Thank you very much for your kind help.
 > Sincerely,
 > Sumana Bhattacharya
 >
 > On Wednesday, April 15, 2015 at 3:52:29 PM UTC+5:30, cb wrote:
 >
 >     Hi,
 >     I guess so. It should punch any variable or parameter phreeqc
can write
 >     in the selected output file. You need both statements;
 >
 >     ADDITIONAL_OUTPUT
 >     ...
 >     #ende
 >
 >     ADDITIONAL_PUNCH
 >     ...
 >     #ende
 >
 >     I have attached an example pqc file for you
 >     (benchmarks\C\Engesgaard\Additional_pqc_output). If you
cannot make
 >     OGS-Phreeqc give you the data, I can check what's wrong if
you provide
 >     me your inputs
 >     Best regards, Christof
 >
 >     Am 15.04.2015 um 12:06 schrieb sumanab24:
 >      > Dr. Beyer,
 >      >
 >      > Does ADDITIONAL_PUNCH punch user defined kinetics also? It
 >     doesn't seem
 >      > to punch KIN("urea_degradation") for me.
 >      >
 >      > Thank you for your kind reply.
 >      >
 >      > Sincerely,
 >      > Sumana Bhattacharya
 >      >
 >      > On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb > >     wrote:
 >      >
 >      >     Hi Sumana,
 >      >
 >      >     you can punch any quantity from Phreeqc to OGS by
adding the
 >     following
 >      >     commands to your *.pqc file:
 >      >
 >      >           The new Keywords
 >      >
 >      >     ADDITIONAL_OUTPUT
 >      >
 >      >           CO3-2 # comp
 >      >
 >      >           HCO3- # comp
 >      >
 >      >           a_HCO3- # comp
 >      >
 >      >     #ende
 >      >
 >      >     ADDITIONAL_PUNCH
 >      >
 >      >           PUNCH MOL("CO3-2")
 >      >
 >      >           PUNCH MOL("HCO3-")
 >      >
 >      >           PUNCH ACT("HCO3-")
 >      >
 >      >     #ende
 >      >
 >      >     now allow output of other quantities than primary species
 >      >     concentrations
 >      >     from PHREEQC. For these quantities (e.g.
concentrations of
 >     secondary
 >      >     species, activities, etc.), additional (immobile)
components
 >     must be
 >      >     defined in OGS to store the output values, i.e. for
the above
 >     example
 >      >     the components CO3-2, HCO3- and a_HCO3- have to be
defnined.
 >     For each
 >      >     component in the ADDITIONAL_OUTPUT list a corresponding
 >      >     ADDITIONAL_PUNCH
 >      >     statement must be provided, which invokes output of the
 >     requested
 >      >     quantity from PHREEQC by means of the USER_PUNCH
keyword. In the
 >      >     example, additional output are concentrations of CO3-2
and HCO3-
 >      >     complexes as well as the activity of the latter.
 >      >
 >      >     This was introduced in v5.5.0
 >      >
 >      >     Cheers, Christof
 >      >
 >      >     Am 15.04.2015 um 10:57 schrieb sumanab24:
 >      >      > Hi,
 >      >      >
 >      >      > I have a question and I would be grateful if anyone
can
 >     answer it.
 >      >      >
 >      >      > I have a kinetic equation for urea degradation
(trial_ogs3
 >     attached
 >      >      > file). When I run it using standalone phreeqC, I
get the
 >     punched
 >      >     values
 >      >      > for both tot("Urea") and kin("urea_degradation")
(Please
 >     refer to
 >      >     the
 >      >      > output file phout_sel).
 >      >      >
 >      >      > However, when I use the coupled version OGS-PhreeqC
(pds.pqc
 >      >     attached
 >      >      > file) for the same phreeqC input file, only
tot("Urea") is
 >     getting
 >      >      > punched in the output file (phout_sel(1)) and
 >      >     kin("urea_degradation") is
 >      >      > not getting punched. I want this to get punched in
phout_sel
 >      >     file. What
 >      >      > should I do? (I do not have any phase description
for this
 >      >     kinetic equation)
 >      >      >
 >      >      > I have added both Urea and urea_degradation as a
component in
 >      >     .mcp file.
 >      >      >
 >      >      > Thank you for you kind help in advance.
 >      >      >
 >      >      > Sincerely,
 >      >      > Sumana Bhattacharya
 >      >      >
 >      >      > --
 >      >      > You received this message because you are
subscribed to
 >     the Google
 >      >      > Groups "ogs-users" group.
 >      >      > To unsubscribe from this group and stop receiving
emails
 >     from it,
 >      >     send
 >      >      > an email to ogs-users+...@googlegroups.com
<javascript:>
 >      >      > <mailto:ogs-users+...@googlegroups.com <javascript:>>.
 >      >      > For more options, visit
[https://groups.google.com/d/optout](https://groups.google.com/d/optout) <[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>
 >     <[https://groups.google.com/d/optout](https://groups.google.com/d/optout)
<[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>>
 >      >     <[https://groups.google.com/d/optout](https://groups.google.com/d/optout)
<[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>
 >     <[https://groups.google.com/d/optout](https://groups.google.com/d/optout)
<[https://groups.google.com/d/optout](https://groups.google.com/d/optout)>>>.
 >      >
 >      >     --
 >      >     _______________________________________
 >      >     Dr. Christof Beyer
 >      >     Institute of Geosciences
 >      >     Geohydromodelling
 >      >     Christian-Albrechts-University Kiel
 >      >     Ludewig-Meyn-Str. 10
 >      >     24118 Kiel
 >      >     Germany
 >      >
 >      >     phone:  +49(0)431-8803172
 >      >     fax:    +49(0)431-8807606
 >      >     mobile: +49(0)176-24297908
 >      >     email: christo...@gpi.uni-kiel.de <javascript:>
 >      >     home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
 >      >     _______________________________________
 >      >
 >
 >     --
 >     _______________________________________
 >     Dr. Christof Beyer
 >     Institute of Geosciences
 >     Geohydromodelling
 >     Christian-Albrechts-University Kiel
 >     Ludewig-Meyn-Str. 10
 >     24118 Kiel
 >     Germany
 >
 >     phone:  +49(0)431-8803172
 >     fax:    +49(0)431-8807606
 >     mobile: +49(0)176-24297908
 >     email: christo...@gpi.uni-kiel.de <javascript:>
 >     home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
 >     _______________________________________
 >

--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone:  +49(0)431-8803172
fax:    +49(0)431-8807606
mobile: +49(0)176-24297908
email: christo...@gpi.uni-kiel.de <javascript:>
home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
_______________________________________


You received this message because you are subscribed to the Google
Groups “ogs-users” group.
To unsubscribe from this group and stop receiving emails from it, send
an email to ogs-users+...@googlegroups.com

mailto:ogs-users+...@googlegroups.com.
For more options, visit https://groups.google.com/d/optout.


Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone: +49(0)431-8803172
fax: +49(0)431-8807606
mobile: +49(0)176-24297908
email: christo...@gpi.uni-kiel.de

home: http://www.ifg.uni-kiel.de/


Dear Dr. Beyer,

Thanks for the workaround. It seems I forgot to write ‘# comp’ (there is a space between # and comp). The workaround is as follows:

KINETICS
Urea_degradation # comp
-formula Urea 1
-m 0
-steps 10000 day in 10
#ende

Wherever you define a solution, kinetic, equilibrium etc. species in the *.pqc file, you must identify for OGS the line with the species / component name, otherwise ogs will not be able to identify this line as the component name of a mass transport process but interpret it as some other phreeqc keyword. The line will be printed to the phinp.dat file, but the connection to the ogs data structure of the process for storing the concentration data returned by phreeqc will not be made.

for the same reasons “# comp” also needs to be defined for ADDITIONAL_OUTPUT quantities.

Thanks,

Sincerely,

Sumana Bhattacharya

···

On Wednesday, April 29, 2015 at 12:28:27 PM UTC+5:30, sumanab24 wrote:

Dear Dr. Beyer,

I am facing an issue with this problem which I did not notice earlier.

Please find my model in the attached zip file. Here in the output file phout_sel.txt I can see that the punched values of tot(‘Urea’) and KIN(“Urea_degradation”) are basically the same. KIN(‘Urea_degradation’) is punched one node ahead of tot(‘Urea’).

But when I run the same PhreeqC file (attached), I get the attached phout_sel.txt file where these quantities are different. One is decreasing (being depleted) and another is increasing (being produced).

Would you please help me to find out where I am mistaking?

Thank you so much for your help.

Sincerely,

Sumana Bhattacharya

On Wednesday, April 15, 2015 at 7:18:46 PM UTC+5:30, cb wrote:

your welcome, christof

Am 15.04.2015 um 15:47 schrieb sumanab24:

Dr. Beyer,

Yes, it does. Thank you so much. Sorry I was not clear about the usage
of #comp.

Thank you so much for the help.
Sincerely,
Sumana Bhattacharya

On Wednesday, April 15, 2015 at 6:20:03 PM UTC+5:30, cb wrote:

Hi Sumana,

just as in the SOLUTION section of your *.pqc file, you have to add
"# comp"
after Urea_degradation:

ADDITIONAL_OUTPUT
Urea_degradation # comp

This will specify for ogs that "Urea_degradation" is the name of a
(dummy) component which will store the information from the requested
Phreeqc output. If you ommit this indicator, ogs will ignore the
ADDITIONAL_OUTPUT request and the corresponding PUNCH command is not
written into the phinp.dat file.

Let me know if this fixed your problem,
Christof




Am 15.04.2015 um > > > > > > > > > > > >     12:46 schrieb sumanab24:
 > Dr. Beyer,
 >
 > Please find attached my input files. I am sorry that these are for
 > Windows 64 bit OS (please rename the file pds.msp.txt to pds.msp).
 >
 > Thank you very much for your kind help.
 > Sincerely,
 > Sumana Bhattacharya
 >
 > On Wednesday, April 15, 2015 at 3:52:29 PM UTC+5:30, cb wrote:
 >
 >     Hi,
 >     I guess so. It should punch any variable or parameter phreeqc
can write
 >     in the selected output file. You need both statements;
 >
 >     ADDITIONAL_OUTPUT
 >     ...
 >     #ende
 >
 >     ADDITIONAL_PUNCH
 >     ...
 >     #ende
 >
 >     I have attached an example pqc file for you
 >     (benchmarks\C\Engesgaard\Additional_pqc_output). If you
cannot make
 >     OGS-Phreeqc give you the data, I can check what's wrong if
you provide
 >     me your inputs
 >     Best regards, Christof
 >
 >     Am 15.04.2015 um 12:06 schrieb sumanab24:
 >      > Dr. Beyer,
 >      >
 >      > Does ADDITIONAL_PUNCH punch user defined kinetics also? It
 >     doesn't seem
 >      > to punch KIN("urea_degradation") for me.
 >      >
 >      > Thank you for your kind reply.
 >      >
 >      > Sincerely,
 >      > Sumana Bhattacharya
 >      >
 >      > On Wednesday, April 15, 2015 at 2:34:03 PM UTC+5:30, cb > > >     wrote:
 >      >
 >      >     Hi Sumana,
 >      >
 >      >     you can punch any quantity from Phreeqc to OGS by
adding the
 >     following
 >      >     commands to your *.pqc file:
 >      >
 >      >           The new Keywords
 >      >
 >      >     ADDITIONAL_OUTPUT
 >      >
 >      >           CO3-2 # comp
 >      >
 >      >           HCO3- # comp
 >      >
 >      >           a_HCO3- # comp
 >      >
 >      >     #ende
 >      >
 >      >     ADDITIONAL_PUNCH
 >      >
 >      >           PUNCH MOL("CO3-2")
 >      >
 >      >           PUNCH MOL("HCO3-")
 >      >
 >      >           PUNCH ACT("HCO3-")
 >      >
 >      >     #ende
 >      >
 >      >     now allow output of other quantities than primary species
 >      >     concentrations
 >      >     from PHREEQC. For these quantities (e.g.
concentrations of
 >     secondary
 >      >     species, activities, etc.), additional (immobile)
components
 >     must be
 >      >     defined in OGS to store the output values, i.e. for
the above
 >     example
 >      >     the components CO3-2, HCO3- and a_HCO3- have to be
defnined.
 >     For each
 >      >     component in the ADDITIONAL_OUTPUT list a corresponding
 >      >     ADDITIONAL_PUNCH
 >      >     statement must be provided, which invokes output of the
 >     requested
 >      >     quantity from PHREEQC by means of the USER_PUNCH
keyword. In the
 >      >     example, additional output are concentrations of CO3-2
and HCO3-
 >      >     complexes as well as the activity of the latter.
 >      >
 >      >     This was introduced in v5.5.0
 >      >
 >      >     Cheers, Christof
 >      >
 >      >     Am 15.04.2015 um 10:57 schrieb sumanab24:
 >      >      > Hi,
 >      >      >
 >      >      > I have a question and I would be grateful if anyone
can
 >     answer it.
 >      >      >
 >      >      > I have a kinetic equation for urea degradation
(trial_ogs3
 >     attached
 >      >      > file). When I run it using standalone phreeqC, I
get the
 >     punched
 >      >     values
 >      >      > for both tot("Urea") and kin("urea_degradation")
(Please
 >     refer to
 >      >     the
 >      >      > output file phout_sel).
 >      >      >
 >      >      > However, when I use the coupled version OGS-PhreeqC
(pds.pqc
 >      >     attached
 >      >      > file) for the same phreeqC input file, only
tot("Urea") is
 >     getting
 >      >      > punched in the output file (phout_sel(1)) and
 >      >     kin("urea_degradation") is
 >      >      > not getting punched. I want this to get punched in
phout_sel
 >      >     file. What
 >      >      > should I do? (I do not have any phase description
for this
 >      >     kinetic equation)
 >      >      >
 >      >      > I have added both Urea and urea_degradation as a
component in
 >      >     .mcp file.
 >      >      >
 >      >      > Thank you for you kind help in advance.
 >      >      >
 >      >      > Sincerely,
 >      >      > Sumana Bhattacharya
 >      >      >
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 >      >     --
 >      >     _______________________________________
 >      >     Dr. Christof Beyer
 >      >     Institute of Geosciences
 >      >     Geohydromodelling
 >      >     Christian-Albrechts-University Kiel
 >      >     Ludewig-Meyn-Str. 10
 >      >     24118 Kiel
 >      >     Germany
 >      >
 >      >     phone:  +49(0)431-8803172
 >      >     fax:    +49(0)431-8807606
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 >      >     _______________________________________
 >      >
 >
 >     --
 >     _______________________________________
 >     Dr. Christof Beyer
 >     Institute of Geosciences
 >     Geohydromodelling
 >     Christian-Albrechts-University Kiel
 >     Ludewig-Meyn-Str. 10
 >     24118 Kiel
 >     Germany
 >
 >     phone:  +49(0)431-8803172
 >     fax:    +49(0)431-8807606
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 >     email: christo...@gpi.uni-kiel.de <javascript:>
 >     home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
 >     _______________________________________
 >

--
_______________________________________
Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone:  +49(0)431-8803172
fax:    +49(0)431-8807606
mobile: +49(0)176-24297908
email: christo...@gpi.uni-kiel.de <javascript:>
home: [http://www.ifg.uni-kiel.de/](http://www.ifg.uni-kiel.de/)
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Dr. Christof Beyer
Institute of Geosciences
Geohydromodelling
Christian-Albrechts-University Kiel
Ludewig-Meyn-Str. 10
24118 Kiel
Germany

phone: +49(0)431-8803172
fax: +49(0)431-8807606
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email: christo...@gpi.uni-kiel.de

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