pycontrails 0.54.0__cp312-cp312-macosx_10_13_x86_64.whl

pycontrails/models/emissions/black_carbon.py

@@ -0,0 +1,594 @@
+"""Non-volatile particulate matter (nvPM) calculations."""
+
+from __future__ import annotations
+
+import numpy as np
+import numpy.typing as npt
+
+from pycontrails.physics import constants, jet, units
+from pycontrails.utils.types import ArrayScalarLike
+
+# ---------------------------------------------------------
+# nvPM Mass Emissions Index: Formation and Oxidation Method
+# ---------------------------------------------------------
+
+
+def mass_emissions_index_fox(
+    air_pressure: npt.NDArray[np.float64],
+    air_temperature: npt.NDArray[np.float64],
+    true_airspeed: npt.NDArray[np.float64],
+    fuel_flow_per_engine: npt.NDArray[np.float64],
+    thrust_setting: npt.NDArray[np.float64],
+    pressure_ratio: float,
+    *,
+    comp_efficiency: float = 0.9,
+) -> npt.NDArray[np.float64]:
+    r"""
+    Calculate the black carbon mass emissions index using the Formation and Oxidation Method (FOX).
+
+    Parameters
+    ----------
+    air_pressure: npt.NDArray[np.float64]
+        Pressure altitude at each waypoint, [:math:`Pa`]
+    air_temperature: npt.NDArray[np.float64]
+        Ambient temperature for each waypoint, [:math:`K`]
+    true_airspeed: npt.NDArray[np.float64]
+        True airspeed for each waypoint, [:math:`m s^{-1}`]
+    fuel_flow_per_engine: npt.NDArray[np.float64]
+        Fuel mass flow rate per engine, [:math:`kg s^{-1}`]
+    thrust_setting: npt.NDArray[np.float64]
+        Engine thrust setting, which is the fuel mass flow rate divided by
+        the maximum fuel mass flow rate
+    pressure_ratio: float
+        Engine pressure ratio from the ICAO EDB
+    comp_efficiency: float
+        Engine compressor efficiency, assumed to be 0.9
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Black carbon mass emissions index, [:math:`mg \ kg_{fuel}^{-1}`]
+
+    References
+    ----------
+    - :cite:`stettlerGlobalCivilAviation2013`
+    """
+    # Reference conditions: 100% thrust setting
+    p_3_ref = jet.combustor_inlet_pressure(pressure_ratio, constants.p_surface, 1.0)
+    t_3_ref = jet.combustor_inlet_temperature(
+        comp_efficiency, constants.T_msl, constants.p_surface, p_3_ref
+    )
+    t_fl_ref = flame_temperature(t_3_ref)
+    afr_ref = jet.air_to_fuel_ratio(1.0, cruise=False)
+    fuel_flow_max = fuel_flow_per_engine / thrust_setting
+    c_bc_ref = bc_mass_concentration_fox(fuel_flow_max, t_fl_ref, afr_ref)
+
+    # Cruise conditions
+    mach_num = units.tas_to_mach_number(true_airspeed, air_temperature)
+    t_2_cru = jet.compressor_inlet_temperature(air_temperature, mach_num)
+    p_2_cru = jet.compressor_inlet_pressure(air_pressure, mach_num)
+    p_3_cru = jet.combustor_inlet_pressure(pressure_ratio, p_2_cru, thrust_setting)
+    t_3_cru = jet.combustor_inlet_temperature(comp_efficiency, t_2_cru, p_2_cru, p_3_cru)
+    t_fl_cru = flame_temperature(t_3_cru)
+    afr_cru = jet.air_to_fuel_ratio(thrust_setting, cruise=True, T_compressor_inlet=t_2_cru)
+    c_bc_cru = bc_mass_concentration_cruise_fox(
+        c_bc_ref=c_bc_ref,
+        t_fl_cru=t_fl_cru,
+        t_fl_ref=t_fl_ref,
+        p_3_cru=p_3_cru,
+        p_3_ref=p_3_ref,
+        afr_cru=afr_cru,
+        afr_ref=afr_ref,
+    )
+    q_exhaust_cru = exhaust_gas_volume_per_kg_fuel(afr_cru)
+    return bc_mass_emissions_index(c_bc_cru, q_exhaust_cru)
+
+
+def flame_temperature(t_3: ArrayScalarLike) -> ArrayScalarLike:
+    """
+    Calculate the flame temperature at the combustion chamber (t_fl).
+
+    Parameters
+    ----------
+    t_3: ArrayScalarLike
+        Combustor inlet temperature, [:math:`K`]
+
+    Returns
+    -------
+    ArrayScalarLike
+        Flame temperature at the combustion chamber, [:math:`K`]
+    """
+    return 0.9 * t_3 + 2120
+
+
+def bc_mass_concentration_fox(
+    fuel_flow: npt.NDArray[np.float64],
+    t_fl: npt.NDArray[np.float64] | float,
+    afr: npt.NDArray[np.float64] | float,
+) -> npt.NDArray[np.float64]:
+    """Calculate the black carbon mass concentration for ground conditions (``c_bc_ref``).
+
+    This quantity is computed at the instrument sampling point without correcting
+    for particle line losses.
+
+    Parameters
+    ----------
+    fuel_flow: npt.NDArray[np.float64]
+        Fuel mass flow rate, [:math:`kg s^{-1}`]
+    t_fl: npt.NDArray[np.float64] | float
+        Flame temperature at the combustion chamber, [:math:`K`]
+    afr: npt.NDArray[np.float64] | float
+        Air-to-fuel ratio
+
+    Returns
+    -------
+    npt.NDArray[np.float64]:
+        Black carbon mass concentration for ground conditions, [:math:`mg m^{-3}`]
+    """
+    return fuel_flow * (356 * np.exp(-6390 / t_fl) - 608 * afr * np.exp(-19778 / t_fl))
+
+
+def bc_mass_concentration_cruise_fox(
+    c_bc_ref: npt.NDArray[np.float64],
+    t_fl_cru: npt.NDArray[np.float64],
+    t_fl_ref: npt.NDArray[np.float64] | float,
+    p_3_cru: npt.NDArray[np.float64],
+    p_3_ref: npt.NDArray[np.float64] | float,
+    afr_cru: npt.NDArray[np.float64],
+    afr_ref: npt.NDArray[np.float64] | float,
+) -> npt.NDArray[np.float64]:
+    """Calculate the black carbon mass concentration for cruise conditions (``c_bc_cru``).
+
+    This quantity is computed at the instrument sampling point without correcting
+    for particle line losses.
+
+    Parameters
+    ----------
+    c_bc_ref: npt.NDArray[np.float64]
+        Black carbon mass concentration at reference conditions, [:math:`mg m^{-3}`]
+    t_fl_cru: npt.NDArray[np.float64]
+        Flame temperature at cruise conditions, [:math:`K`]
+    t_fl_ref: npt.NDArray[np.float64] | float
+        Flame temperature at reference conditions, [:math:`K`]
+    p_3_cru: npt.NDArray[np.float64]
+        Combustor inlet pressure at cruise conditions, [:math:`Pa`]
+    p_3_ref: npt.NDArray[np.float64] | float
+        Combustor inlet pressure at reference conditions, [:math:`Pa`]
+    afr_cru: npt.NDArray[np.float64]
+        Air-to-fuel ratio at cruise conditions
+    afr_ref: npt.NDArray[np.float64] | float
+        Air-to-fuel ratio at reference conditions
+
+    Returns
+    -------
+    npt.NDArray[np.float64]:
+        Black carbon mass concentration for cruise conditions, [:math:`mg m^{-3}`]
+    """
+    scaling_factor = dopelheuer_lecht_scaling_factor(
+        t_fl_cru=t_fl_cru,
+        t_fl_ref=t_fl_ref,
+        p_3_cru=p_3_cru,
+        p_3_ref=p_3_ref,
+        afr_cru=afr_cru,
+        afr_ref=afr_ref,
+    )
+    return c_bc_ref * scaling_factor
+
+
+def dopelheuer_lecht_scaling_factor(
+    t_fl_cru: npt.NDArray[np.float64],
+    t_fl_ref: npt.NDArray[np.float64] | float,
+    p_3_cru: npt.NDArray[np.float64],
+    p_3_ref: npt.NDArray[np.float64] | float,
+    afr_cru: npt.NDArray[np.float64],
+    afr_ref: npt.NDArray[np.float64] | float,
+) -> npt.NDArray[np.float64]:
+    """Estimate scaling factor to convert the reference BC mass concentration from ground to cruise.
+
+    Parameters
+    ----------
+    t_fl_cru: npt.NDArray[np.float64]
+        Flame temperature at cruise conditions, [:math:`K`]
+    t_fl_ref: npt.NDArray[np.float64] | float
+        Flame temperature at reference conditions, [:math:`K`]
+    p_3_cru: npt.NDArray[np.float64]
+        Combustor inlet pressure at cruise conditions, [:math:`Pa`]
+    p_3_ref: npt.NDArray[np.float64] | float
+        Combustor inlet pressure at reference conditions, [:math:`Pa`]
+    afr_cru: npt.NDArray[np.float64]
+        Air-to-fuel ratio at cruise conditions
+    afr_ref: npt.NDArray[np.float64] | float
+        Air-to-fuel ratio at reference conditions
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Dopelheuer & Lecht scaling factor
+
+    References
+    ----------
+    - :cite:`dopelheuerInfluenceEnginePerformance1998`
+    """
+    exp_term = np.exp(20000 / t_fl_cru) / np.exp(20000 / t_fl_ref)
+    return (afr_ref / afr_cru) ** 2.5 * (p_3_cru / p_3_ref) ** 1.35 * exp_term
+
+
+# ----------------------------------------------------------------------------
+# nvPM Mass Emissions Index: "Improved" Formation and Oxidation Method (ImFOX)
+# ----------------------------------------------------------------------------
+
+
+def mass_emissions_index_imfox(
+    fuel_flow_per_engine: npt.NDArray[np.float64],
+    thrust_setting: npt.NDArray[np.float64],
+    fuel_hydrogen: float,
+) -> npt.NDArray[np.float64]:
+    r"""Calculate the BC mass EI using the "Improved" Formation and Oxidation Method (ImFOX).
+
+    Parameters
+    ----------
+    fuel_flow_per_engine: npt.NDArray[np.float64]
+        Fuel mass flow rate per engine, [:math:`kg s^{-1}`]
+    thrust_setting: npt.NDArray[np.float64]
+        Engine thrust setting, which is the fuel mass flow rate divided by the
+        maximum fuel mass flow rate
+    fuel_hydrogen: float
+        Percentage of hydrogen mass content in the fuel (13.8% for conventional Jet A-1 fuel)
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Black carbon mass emissions index, [:math:`mg \ kg_{fuel}^{-1}`]
+
+    References
+    ----------
+    - :cite:`abrahamsonPredictiveModelDevelopment2016`
+    """
+    afr_cru = air_to_fuel_ratio_imfox(thrust_setting)
+    t_4_cru = turbine_inlet_temperature_imfox(afr_cru)
+    c_bc_cru = bc_mass_concentration_imfox(
+        fuel_flow_per_engine, afr_cru, t_4_cru, fuel_hydrogen=fuel_hydrogen
+    )
+    q_exhaust_cru = exhaust_gas_volume_per_kg_fuel(afr_cru)
+    return bc_mass_emissions_index(c_bc_cru, q_exhaust_cru)
+
+
+def air_to_fuel_ratio_imfox(thrust_setting: npt.NDArray[np.float64]) -> npt.NDArray[np.float64]:
+    """Calculate the air-to-fuel ratio at cruise conditions via Abrahamson's method.
+
+    See Eq. (11) in :cite:`abrahamsonPredictiveModelDevelopment2016`.
+
+    Parameters
+    ----------
+    thrust_setting: npt.NDArray[np.float64]
+        Engine thrust setting, which is the fuel mass flow rate divided by
+        the maximum fuel mass flow rate
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Air-to-fuel ratio at cruise conditions
+
+    References
+    ----------
+    - :cite:`abrahamsonPredictiveModelDevelopment2016`
+    """
+    return 55.4 - 30.8 * thrust_setting
+
+
+def turbine_inlet_temperature_imfox(afr: npt.NDArray[np.float64]) -> npt.NDArray[np.float64]:
+    """Calculate the turbine inlet temperature using Abrahamson's method.
+
+    See Eq. (13) in :cite:`abrahamsonPredictiveModelDevelopment2016`.
+
+    Parameters
+    ----------
+    afr: npt.NDArray[np.float64]
+        air-to-fuel ratio at cruise conditions
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        turbine inlet temperature, [:math:`K`]
+
+    References
+    ----------
+    - :cite:`abrahamsonPredictiveModelDevelopment2016`
+    """
+    return 490 + 42266 / afr
+
+
+def bc_mass_concentration_imfox(
+    fuel_flow_per_engine: npt.NDArray[np.float64],
+    afr: npt.NDArray[np.float64],
+    t_4: npt.NDArray[np.float64],
+    fuel_hydrogen: float,
+) -> npt.NDArray[np.float64]:
+    """Calculate the BC mass concentration for ground and cruise conditions with ImFOX methodology.
+
+    This quantity is computed at the instrument sampling point without
+    correcting for particle line losses.
+
+    Parameters
+    ----------
+    fuel_flow_per_engine: npt.NDArray[np.float64]
+        fuel mass flow rate per engine, [:math:`kg s^{-1}`]
+    afr: npt.NDArray[np.float64]
+        air-to-fuel ratio
+    t_4: npt.NDArray[np.float64]
+        turbine inlet temperature, [:math:`K`]
+    fuel_hydrogen: float
+        percentage of hydrogen mass content in the fuel (13.8% for conventional Jet A-1 fuel)
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Black carbon mass concentration, [:math:`mg m^{-3}`]
+    """
+    exp_term = np.exp(13.6 - fuel_hydrogen)
+    formation_term = 295 * np.exp(-6390 / t_4)
+    oxidation_term = 608 * afr * np.exp(-19778 / t_4)
+    return fuel_flow_per_engine * exp_term * (formation_term - oxidation_term)
+
+
+# ---------------------------------------------------------
+# Commonly Used Black Carbon Mass Emissions Index Functions
+# ---------------------------------------------------------
+
+
+def exhaust_gas_volume_per_kg_fuel(afr: npt.NDArray[np.float64]) -> npt.NDArray[np.float64]:
+    """
+    Calculate the volume of exhaust gas per mass of fuel burnt.
+
+    Parameters
+    ----------
+    afr: npt.NDArray[np.float64]
+        Air-to-fuel ratio
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Volume of exhaust gas per mass of fuel burnt, [:math:`m^{3}/kg_{fuel}`]
+
+    References
+    ----------
+    - :cite:`stettlerGlobalCivilAviation2013`
+    """
+    return 0.776 * afr + 0.877
+
+
+def bc_mass_emissions_index(
+    c_bc: npt.NDArray[np.float64], q_exhaust: npt.NDArray[np.float64]
+) -> npt.NDArray[np.float64]:
+    """
+    Calculate the black carbon mass emissions index.
+
+    Parameters
+    ----------
+    c_bc: npt.NDArray[np.float64]
+        Black carbon mass concentration, [:math:`mg m^{-3}`]
+    q_exhaust: npt.NDArray[np.float64]
+        Volume of exhaust gas per mass of fuel burnt, [:math:`m^{3}/kg_{fuel}`]
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Black carbon mass emissions index, [:math:`mg/kg_{fuel}`]
+
+    References
+    ----------
+    - :cite:`stettlerGlobalCivilAviation2013`
+    """
+    return c_bc * q_exhaust
+
+
+# ----------------------------------------------------------
+# nvPM Number Emissions Index: Fractal Aggregates (FA) model
+# ----------------------------------------------------------
+
+
+def geometric_mean_diameter_sac(
+    air_pressure: npt.NDArray[np.float64],
+    air_temperature: npt.NDArray[np.float64],
+    true_airspeed: npt.NDArray[np.float64],
+    thrust_setting: npt.NDArray[np.float64],
+    pressure_ratio: float,
+    q_fuel: float,
+    *,
+    comp_efficiency: float = 0.9,
+    delta_loss: float = 5.75,
+    cruise: bool = True,
+) -> npt.NDArray[np.float64]:
+    r"""Calculate the BC GMD for singular annular combustor (SAC) engines.
+
+    The BC (black carbon) GMD (geometric mean diameter) is estimated using
+    the non-dimensionalized engine thrust setting, the ratio of turbine inlet
+    to the compressor inlet temperature (``t4_t2``).
+
+    Parameters
+    ----------
+    air_pressure: npt.NDArray[np.float64]
+        Pressure altitude at each waypoint, [:math:`Pa`]
+    air_temperature: npt.NDArray[np.float64]
+        Ambient temperature for each waypoint, [:math:`K`]
+    true_airspeed: npt.NDArray[np.float64]
+        True airspeed for each waypoint, [:math:`m s^{-1}`]
+    thrust_setting: npt.NDArray[np.float64]
+        Engine thrust setting, which is the fuel mass flow rate divided by the
+        maximum fuel mass flow rate
+    pressure_ratio: float
+        Engine pressure ratio from the ICAO EDB
+    q_fuel : float
+        Lower calorific value (LCV) of fuel, [:math:`J \ kg_{fuel}^{-1}`]
+    comp_efficiency: float
+        Engine compressor efficiency (assumed to be 0.9)
+    delta_loss: float
+        Correction factor accounting for particle line losses (assumed to be 5.75 nm), [:math:`nm`]
+    cruise: bool
+        Set to true when the aircraft is not on the ground.
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        black carbon geometric mean diameter, [:math:`nm`]
+
+    References
+    ----------
+    - :cite:`teohMitigatingClimateForcing2020`
+    """
+    t4_t2 = jet.thrust_setting_nd(
+        true_airspeed,
+        thrust_setting,
+        air_temperature,
+        air_pressure,
+        pressure_ratio,
+        q_fuel,
+        comp_efficiency=comp_efficiency,
+        cruise=cruise,
+    )
+    return (2.5883 * t4_t2**2) - (5.3723 * t4_t2) + 16.721 - delta_loss
+
+
+def number_emissions_index_fractal_aggregates(
+    nvpm_ei_m: npt.NDArray[np.float64],
+    gmd: npt.NDArray[np.float64],
+    *,
+    gsd: float | npt.NDArray[np.float64] = 1.80,
+    rho_bc: float = 1770,
+    k_tem: float = 1.621e-5,
+    d_tem: float = 0.39,
+    d_fm: float = 2.76,
+) -> npt.NDArray[np.float64]:
+    """
+    Estimate the black carbon number emission index using the fractal aggregates (FA) model.
+
+    The FA model estimates the number emissions index from the mass emissions index,
+    particle size distribution, and morphology.
+
+    Parameters
+    ----------
+    nvpm_ei_m: npt.NDArray[np.float64]
+        Black carbon mass emissions index, [:math:`kg/kg_{fuel}`]
+    gmd: npt.NDArray[np.float64]
+        Black carbon geometric mean diameter, [:math:`m`]
+    gsd: float
+        Black carbon geometric standard deviation (assumed to be 1.80)
+    rho_bc: float
+        Black carbon material density (1770 kg/m**3), [:math:`kg m^{-3}`]
+    k_tem: float
+        Transmission electron microscopy prefactor coefficient (assumed to be 1.621e-5)
+    d_tem: float
+        Transmission electron microscopy exponent coefficient (assumed to be 0.39)
+    d_fm: float
+        Mass-mobility exponent (assumed to be 2.76)
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Black carbon number emissions index, [:math:`kg_{fuel}^{-1}`]
+
+    References
+    ----------
+    - FA model: :cite:`teohMethodologyRelateBlack2019`
+    - ``gmd``, ``gsd``, ``d_fm``: :cite:`teohMitigatingClimateForcing2020`
+    - ``rho_bc``: :cite:`parkMeasurementInherentMaterial2004`
+    - ``k_tem``, ``d_tem``: :cite:`dastanpourObservationsCorrelationPrimary2014`
+    """
+    phi = 3 * d_tem + (1 - d_tem) * d_fm
+    exponential_term = np.exp(0.5 * phi**2 * np.log(gsd) ** 2)
+    denom = rho_bc * (np.pi / 6) * k_tem ** (3 - d_fm) * gmd**phi * exponential_term
+    return nvpm_ei_m / denom
+
+
+# -------------------------------------------------------------
+# Scale nvPM emissions indices due to sustainable aviation fuel
+# -------------------------------------------------------------
+
+
+def nvpm_number_ei_pct_reduction_due_to_saf(
+    hydrogen_content: float | npt.NDArray[np.float64],
+    thrust_setting: npt.NDArray[np.float64],
+) -> npt.NDArray[np.float64]:
+    """
+    Adjust nvPM number emissions index to account for the effects of sustainable aviation fuels.
+
+    Parameters
+    ----------
+    hydrogen_content: float
+        The percentage of hydrogen mass content in the fuel.
+    thrust_setting: npt.NDArray[np.float64]
+        Engine thrust setting, where the equivalent fuel mass flow rate per engine at
+        sea level, :math:`[0 - 1]`.
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Percentage reduction in nvPM number emissions index
+
+    References
+    ----------
+    - :cite:`teohTargetedUseSustainable2022`
+    - :cite:`bremEffectsFuelAromatic2015`
+    """
+    a0 = -114.21
+    a1 = 1.06
+    a2 = 0.5
+    return _template_saf_reduction(hydrogen_content, thrust_setting, a0, a1, a2)
+
+
+def nvpm_mass_ei_pct_reduction_due_to_saf(
+    hydrogen_content: float | npt.NDArray[np.float64],
+    thrust_setting: npt.NDArray[np.float64],
+) -> npt.NDArray[np.float64]:
+    """
+    Adjust nvPM mass emissions index to account for the effects of sustainable aviation fuels.
+
+    For fuel with hydrogen mass content > 14.3, the adjustment factor is adopted from
+    Teoh et al. (2022), which was used to calculate the change in nvPM EIn.
+
+    Parameters
+    ----------
+    hydrogen_content: float
+        The percentage of hydrogen mass content in the fuel.
+    thrust_setting: npt.NDArray[np.float64]
+        Engine thrust setting, where the equivalent fuel mass flow rate per engine at
+        sea level, :math:`[0 - 1]`.
+
+    Returns
+    -------
+    npt.NDArray[np.float64]
+        Percentage reduction in nvPM number emissions index
+
+    References
+    ----------
+    - :cite:`teohTargetedUseSustainable2022`
+    - :cite:`bremEffectsFuelAromatic2015`
+    """
+    a0 = -124.05
+    a1 = 1.02
+    a2 = 0.6
+    return _template_saf_reduction(hydrogen_content, thrust_setting, a0, a1, a2)
+
+
+def _template_saf_reduction(
+    hydrogen_content: float | npt.NDArray[np.float64],
+    thrust_setting: npt.NDArray[np.float64],
+    a0: float,
+    a1: float,
+    a2: float,
+) -> npt.NDArray[np.float64]:
+    # Thrust setting cannot be computed when engine data is not provided in
+    # the ICAO EDB, so set default to 45% thrust.
+    thrust_setting = np.nan_to_num(thrust_setting, nan=0.45)
+    delta_h = hydrogen_content - 13.80
+    d_nvpm_ein_pct = (a0 + a1 * (thrust_setting * 100.0)) * delta_h
+
+    # Adjust when delta_h is large
+    if isinstance(delta_h, np.ndarray):
+        filt = delta_h > 0.5
+        d_nvpm_ein_pct[filt] *= np.exp(0.5 * (a2 - delta_h[filt]))
+    elif delta_h > 0.5:
+        d_nvpm_ein_pct *= np.exp(0.5 * (a2 - delta_h))
+
+    d_nvpm_ein_pct.clip(min=-90.0, max=0.0, out=d_nvpm_ein_pct)
+    return d_nvpm_ein_pct