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GWB handles coal?


chance
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Hi Chance,

 

Can you be a little more specific? Coal is more of a rock than a mineral, so the nature of your problem will dictate how to set up your model.

 

If you're interested in the generation of acid mine drainage, for example, you can certainly model the oxidation of the sulfide minerals present in coal.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC

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Hi Chance,

 

Can you be a little more specific? Coal is more of a rock than a mineral, so the nature of your problem will dictate how to set up your model.

 

If you're interested in the generation of acid mine drainage, for example, you can certainly model the oxidation of the sulfide minerals present in coal.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC

 

 

Thanks Brian for such a quick reply.

Im looking at the isotope farctination between injected CO2 and DIC in a formation water. However, the formation has coal layers. I was trying to include coal into the model to see any its impact on the isotopes. But no idea how to do so.

 

Thanks a lot.

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Hi chance,

 

It sounds like you can use React's isotope fractionation model, described in Chapter 19 of the Geochemical and Biogeochemical Reaction Modeling text. Graphite should suffice as a proxy for coal in your model. The mineral is included in the default thermo dataset thermo.dat as well as the compilation of fractionation factors isotope.dat.

 

Regards,

Brian

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Hi chance,

 

It sounds like you can use React's isotope fractionation model, described in Chapter 19 of the Geochemical and Biogeochemical Reaction Modeling text. Graphite should suffice as a proxy for coal in your model. The mineral is included in the default thermo dataset thermo.dat as well as the compilation of fractionation factors isotope.dat.

 

Regards,

Brian

 

 

Dear Brian,

 

Thanks a lot for your kind help. Yes, Iam using that isotope model. Did not know how to include the coal in the model. I will use graphite as a mienral then.

One more quick question again, does GWB do adsorption of CO2 on coal (or graphite)and production of CH4. Thank you.

 

With regards,

Chance

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Hi Chance,

 

GWB can certainly model sorption, but you'll need to search the literature so that you can create a surface dataset for coal. You should follow the format of the FeOH.dat surface dataset installed with the GWB. Basically, graphite would be your sorbing mineral, and you would add a surface basis species which is an uncomplexed site. You would then add a surface species for the CO2 surface complex. IF you don't want to use a full double layer model, you might also find a Langmuir model to be sufficient.

 

You might want to set up some sort of kinetic rate law to describe the formation of CH4.

 

Regards,

Brian

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Hi Chance,

 

GWB can certainly model sorption, but you'll need to search the literature so that you can create a surface dataset for coal. You should follow the format of the FeOH.dat surface dataset installed with the GWB. Basically, graphite would be your sorbing mineral, and you would add a surface basis species which is an uncomplexed site. You would then add a surface species for the CO2 surface complex. IF you don't want to use a full double layer model, you might also find a Langmuir model to be sufficient.

 

You might want to set up some sort of kinetic rate law to describe the formation of CH4.

 

Regards,

Brian

 

 

Thank you a lot, Brian.

 

I will look into the sorption part of the GWB.

 

Thanks again.

 

Regards.

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