how to set prescribed concentrations for dfc

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5 years 11 months ago #240 by beguser
I'm trying to figure out how to set prescribed chemical concentrations for internal mass sources (tag='dfc'). Right now, I'm using

"domainId2":{
"type":"selection",
"tag":"sel3"
}

under "comsolRT" and

"domainId2":{
"pathId":"phreeqcInputPath1",
"databaseId":"phreeqcDB1",
"inputFileId":"phreeqcFile2",
"selectedOutputId":"output1",
"numericalManagerId":"myNumericalManager1",
"numberOfSlices":4
}
under phreeqcRocks.

However, the fixed concentrations are all zero (see the attached screen shot).

Alex
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5 years 11 months ago #241 by bshafei
Hello Alex,
In order to assign a boundary condition of any type (fixed concentration, open BC or prescribed chemical concentrations for internal mass sources) to any edge or point, you need to define it in your domainList both under comsolRT and phreeqcRocks:

in comsolRT
"BoundaryWater" : {
"type" : "boundaryCondition",
"relatedPhyicsInfo" : [{
"physicsId" : "liquidSoluteTransportInterface",
"tag" : "dfc1"
}
]

in phreeqcRocks
"BoundaryWater" : {
"pathId" : "phreeqcInputPath2",
"databaseId" : "phreeqcDB1",
"inputFileId" : "phreeqcFileBC",
"selectedOutputId" : "output1",
"numericalManagerId" : "myNumericalManager1",
"canBeUpdatedByInputVariables" : false,
"numberOfSlices" : 1
}

your phreeqc file phreeqcFileBC must encompass all external concentrations of boundary water.

cheers,
Babak

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5 years 11 months ago #243 by beguser
Hi, Babak,

dfc is a domain type of source (with multiple nodes in my case). Thus, treating it as a boundary condition caused problem. See the attached screen capture, in particular observe that BCwaterId2 has 1 node.
I modified the input json file on the basis of your instruction,

in comsolRT:
"BCwaterId2":{
"type":"boundaryCondition",
"relatedPhyicsInfo":[{"physicsId":"liquidSoluteTransportInterface", "tag":"dfc1"}
]
}

in PhreeqcRocks:

"BCwaterId2":{
"pathId":"phreeqcInputPath1",
"databaseId":"phreeqcDB1",
"inputFileId":"phreeqcFile2",
"selectedOutputId":"output1",
"numericalManagerId":"myNumericalManager1",
"numberOfSlices":4
}

Do you have a running example?

Thanks,
Alex
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5 years 10 months ago #252 by bshafei
Hi Alex,
Have you tried to run your comsol file as a stand-alone model? You can assign hypothetical boundary values and examine if that runs properly. If that doesn't work, it means your iCP won't perform correctly. You can also send me the corresponding iCP files (comsol, phreeqc and json) files for more detailed analysis.

Best,
Babak

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