Choose Solids

You can include or exclude solid phases in your calculation. Here's an example demonstrating how to include or exclude a particular solid phase of a species.

The example below illustrates how to include specific solid phases in the system.

{
  "params": {
    "thermodynamicFramework": "MSE (H3O+ ion)",
    "privateDatabanks": [
    ],
    "modelName": "testModel",
    "phases": [
      "liquid1",
      "vapor",
      "solid",
      "liquid2"
    ],
    "inflows": [
      {
        "name": "H2O"
      },
      {
        "name": "NACL"
      },
      {
        "name": "UREA"
      },
      {
        "name": "NH3"
      },
      {
        "name": "CO2"
      },
      {
        "name": "CACO3"
      },
      {
        "name": "Benzene"
      },
      {
        "name": "Ethanol"
      }
    ],
    "includedSolids": {
      "enabled": true,
      "solids": [
        "NACLPPT",
        "NAOHPPT",
        "CACO3PPT",
        "UREAPPT"
      ]
    }
  }
}

The "includedSolids" and "excludedSolids" parameters are optional in the input file for generating a .dbs file. Note that you cannot use "includedSolids" and "excludedSolids" simultaneously.

"includedSolids" will only include the solid phases of species explicitly specified by the user. An unspecified solid phase of species will be excluded by default.

The example below illustrates how to exclude certain solid phases in the system.

{
  "params": {
    "thermodynamicFramework": "MSE (H3O+ ion)",
    "privateDatabanks": [
      "URE"
    ],
    "modelName": "testModel",
    "phases": [
      "liquid1",
      "vapor",
      "solid",
      "liquid2"
    ],
    "inflows": [
      {
        "name": "H2O"
      },
      {
        "name": "NACL"
      },
      {
        "name": "UREA"
      },
      {
        "name": "NH3"
      },
      {
        "name": "CO2"
      },
      {
        "name": "CACO3"
      },
      {
        "name": "Benzene"
      },
      {
        "name": "Ethanol"
      }
    ],
    "excludedSolids": {
      "enabled": true,
      "solids": [
        "CACL2.6H2O",
        "UREA"
      ]
    }
  }
}

"excludedSolids" will only exclude the solid phases of species explicitly specified by the user. An unspecified solid phase of species will be included by default.