WaterProperties

Temperature-dependent physical properties of water for nucleation calculations following Seinfeld & Pandis (2006), Chapter 11, Tables 11.1 and 11.4. Provides surface tension, molecular volume, molecular mass, and saturation vapor pressure as functions of temperature.

.esm schema: 1.0.0
Source: components/aerosol/nucleation/water_properties.esm

Description

Reference

Coupler identity: this model was serialized with the model-level field coupletype: "WaterProperties", the EarthSciMLBase CoupleType metadata tag naming the Julia coupler struct that EarthSciMLBase.couple2 dispatches on to find this component’s pairwise coupling rules. The esm schema defined coupletype only before 0.8.0 (“informational label identifying this system’s role in coupling”); 0.8.0 removed it in favour of explicit coupling — coupling entries naming components directly, or coupling_roles + coupling_import in a coupling-library file (esm-spec §10.9–§10.11). esm 1.0.0 has no model-level coupler-identity field, so the tag is recorded here to keep it recoverable.

Parameters

Name	Units	Default	Description
`T`	`K`	`293.0`	Temperature
`T_unit`	`K`	`1.0`	Unit temperature for conversion (dimensionless)
`Pa_unit`	`Pa`	`1.0`	Unit pressure for conversion (dimensionless)
`M_H2O`	`kg/mol`	`0.018015`	Molar mass of water
`N_A`	`mol^-1`	`6.02214076e+23`	Avogadro number
`R`	`J/(mol*K)`	`8.314`	Gas constant
`sigma_ref`	`N/m`	`0.0756`	Surface tension at 273 K
`sigma_slope`	`N/(m*K)`	`-0.0001454`	Surface tension temperature slope
`T_ref`	`K`	`273.0`	Reference temperature
`v_1_const`	`m^3`	`2.99e-29`	Molecular volume of water
`A_antoine`	`1`	`23.1964`	Antoine A coefficient (dimensionless)
`B_antoine`	`1`	`3816.44`	Antoine B coefficient (dimensionless)
`C_antoine`	`1`	`-46.13`	Antoine C coefficient (dimensionless)

Observed

Name	Units	Description
`sigma`	`N/m`	Surface tension (temperature-dependent linear approximation)
`v_1`	`m^3`	Molecular volume (approximately constant)
`m_1`	`kg`	Molecular mass of water
`p_sat`	`Pa`	Saturation vapor pressure from Antoine equation: ln(p/Pa) = A - B/(C + T/K)

Observed expressions

$$ sigma = sigma_{ref} + sigma_{slope} \cdot \left(T - T_{ref}\right) $$

Surface tension (temperature-dependent linear approximation)

$$ v_{1} = v_{1\,const} $$

Molecular volume (approximately constant)

$$ m_{1} = \frac{M_{H2O}}{N_{A}} $$

Molecular mass of water

$$ p_{sat} = Pa_{unit} \cdot e^{A_{antoine} - \frac{B_{antoine}}{C_{antoine} + \frac{T}{T_{unit}}}} $$

Saturation vapor pressure from Antoine equation: ln(p/Pa) = A - B/(C + T/K)

Raw .esm

Raw .esm JSON (this component)

{
  "reference": {
    "notes": "Coupler identity: this model was serialized with the model-level field `coupletype: \"WaterProperties\"`, the EarthSciMLBase `CoupleType` metadata tag naming the Julia coupler struct that `EarthSciMLBase.couple2` dispatches on to find this component's pairwise coupling rules. The esm schema defined `coupletype` only before 0.8.0 (\"informational label identifying this system's role in coupling\"); 0.8.0 removed it in favour of explicit coupling — `coupling` entries naming components directly, or `coupling_roles` + `coupling_import` in a coupling-library file (esm-spec §10.9–§10.11). esm 1.0.0 has no model-level coupler-identity field, so the tag is recorded here to keep it recoverable."
  },
  "variables": {
    "T": {
      "type": "parameter",
      "units": "K",
      "default": 293.0,
      "description": "Temperature"
    },
    "T_unit": {
      "type": "parameter",
      "units": "K",
      "default": 1.0,
      "description": "Unit temperature for conversion (dimensionless)"
    },
    "Pa_unit": {
      "type": "parameter",
      "units": "Pa",
      "default": 1.0,
      "description": "Unit pressure for conversion (dimensionless)"
    },
    "M_H2O": {
      "type": "parameter",
      "units": "kg/mol",
      "default": 0.018015,
      "description": "Molar mass of water"
    },
    "N_A": {
      "type": "parameter",
      "units": "mol^-1",
      "default": 6.02214076e+23,
      "description": "Avogadro number"
    },
    "R": {
      "type": "parameter",
      "units": "J/(mol*K)",
      "default": 8.314,
      "description": "Gas constant"
    },
    "sigma_ref": {
      "type": "parameter",
      "units": "N/m",
      "default": 0.0756,
      "description": "Surface tension at 273 K"
    },
    "sigma_slope": {
      "type": "parameter",
      "units": "N/(m*K)",
      "default": -0.0001454,
      "description": "Surface tension temperature slope"
    },
    "T_ref": {
      "type": "parameter",
      "units": "K",
      "default": 273.0,
      "description": "Reference temperature"
    },
    "v_1_const": {
      "type": "parameter",
      "units": "m^3",
      "default": 2.99e-29,
      "description": "Molecular volume of water"
    },
    "A_antoine": {
      "type": "parameter",
      "units": "1",
      "default": 23.1964,
      "description": "Antoine A coefficient (dimensionless)"
    },
    "B_antoine": {
      "type": "parameter",
      "units": "1",
      "default": 3816.44,
      "description": "Antoine B coefficient (dimensionless)"
    },
    "C_antoine": {
      "type": "parameter",
      "units": "1",
      "default": -46.13,
      "description": "Antoine C coefficient (dimensionless)"
    },
    "sigma": {
      "type": "unknown",
      "units": "N/m",
      "description": "Surface tension (temperature-dependent linear approximation)"
    },
    "v_1": {
      "type": "unknown",
      "units": "m^3",
      "description": "Molecular volume (approximately constant)"
    },
    "m_1": {
      "type": "unknown",
      "units": "kg",
      "description": "Molecular mass of water"
    },
    "p_sat": {
      "type": "unknown",
      "units": "Pa",
      "description": "Saturation vapor pressure from Antoine equation: ln(p/Pa) = A - B/(C + T/K)"
    }
  },
  "equations": [
    {
      "lhs": "sigma",
      "rhs": {
        "op": "+",
        "args": [
          "sigma_ref",
          {
            "op": "*",
            "args": [
              "sigma_slope",
              {
                "op": "-",
                "args": [
                  "T",
                  "T_ref"
                ]
              }
            ]
          }
        ]
      }
    },
    {
      "lhs": "v_1",
      "rhs": "v_1_const"
    },
    {
      "lhs": "m_1",
      "rhs": {
        "op": "/",
        "args": [
          "M_H2O",
          "N_A"
        ]
      }
    },
    {
      "lhs": "p_sat",
      "rhs": {
        "op": "*",
        "args": [
          "Pa_unit",
          {
            "op": "exp",
            "args": [
              {
                "op": "-",
                "args": [
                  "A_antoine",
                  {
                    "op": "/",
                    "args": [
                      "B_antoine",
                      {
                        "op": "+",
                        "args": [
                          "C_antoine",
                          {
                            "op": "/",
                            "args": [
                              "T",
                              "T_unit"
                            ]
                          }
                        ]
                      }
                    ]
                  }
                ]
              }
            ]
          }
        ]
      }
    }
  ],
  "tests": [
    {
      "id": "sigma_273k",
      "description": "Surface tension at 273K should be approximately 0.0756 N/m",
      "time_span": {
        "start": 0.0,
        "end": 0.0
      },
      "parameter_overrides": {
        "T": 273.0
      },
      "assertions": [
        {
          "variable": "sigma",
          "time": 0,
          "expected": 0.0756,
          "tolerance": {
            "abs": 0.001
          }
        }
      ]
    },
    {
      "id": "sigma_293k",
      "description": "Surface tension at 293K should be approximately 0.0727 N/m",
      "time_span": {
        "start": 0.0,
        "end": 0.0
      },
      "assertions": [
        {
          "variable": "sigma",
          "time": 0,
          "expected": 0.072722,
          "tolerance": {
            "abs": 0.001
          }
        }
      ]
    },
    {
      "id": "m_1",
      "description": "Molecular mass of water should be approximately 2.99e-26 kg",
      "time_span": {
        "start": 0.0,
        "end": 0.0
      },
      "assertions": [
        {
          "variable": "m_1",
          "time": 0,
          "expected": 2.9915e-26,
          "tolerance": {
            "abs": 1e-28
          }
        }
      ]
    },
    {
      "id": "v_1",
      "description": "Molecular volume should be approximately 2.99e-29 m^3",
      "time_span": {
        "start": 0.0,
        "end": 0.0
      },
      "assertions": [
        {
          "variable": "v_1",
          "time": 0,
          "expected": 2.99e-29,
          "tolerance": {
            "abs": 1e-31
          }
        }
      ]
    },
    {
      "id": "p_sat_293k",
      "description": "Saturation vapor pressure at 293K should be approximately 2300 Pa",
      "time_span": {
        "start": 0.0,
        "end": 0.0
      },
      "assertions": [
        {
          "variable": "p_sat",
          "time": 0,
          "expected": 2300,
          "tolerance": {
            "abs": 100
          }
        }
      ]
    }
  ]
}