Aerosol Tutorial¶
Aerosols are complex systems comprising both gaseous components and particulate matter. To accurately model such systems, we introduce the Aerosol class, which serves as a collection the Atmosphere and ParticleRepresentation objects.
In this quick tutorial, we will demonstrate how to create an Aerosol object, as this is the key object that will track the state of the aerosol system during dynamics.
import numpy as np
import matplotlib.pyplot as plt
from particula.particles import PresetParticleRadiusBuilder
from particula.gas import AtmosphereBuilder, VaporPressureFactory, GasSpeciesBuilder
from particula.aerosol import Aerosol
Gas->Atmosphere and Particles¶
First we'll create a simple Atmosphere object, which will represent the gas phase of the aerosol system. We'll also create a ParticleRepresentation object, which will represent the particulate phase of the aerosol system.
For the chemical species, we will use a pure component glycerol system.
# Glycerol gas
molar_mass_glycerol = 92.09382e-3 # kg/mol
parameters_clausius = {
"latent_heat": 71.5*molar_mass_glycerol,
"latent_heat_units": "kJ/kg",
"temperature_initial": 125.5,
"temperature_initial_units": "degC",
"pressure_initial": 1,
"pressure_initial_units": "mmHg",
}
vapor_pressure_strategy = VaporPressureFactory().get_strategy("clausius_clapeyron", parameters_clausius)
sat_concentration = vapor_pressure_strategy.saturation_concentration(molar_mass_glycerol, 298.15)
print(f"Saturation concentration: {sat_concentration:.2e} kg/m^3")
sat_factor = 0.5 # 50% of saturation concentration
glycerol_gas = (
GasSpeciesBuilder()
.set_molar_mass(molar_mass_glycerol, "kg/mol")
.set_vapor_pressure_strategy(vapor_pressure_strategy)
.set_concentration(sat_concentration*sat_factor, "kg/m^3")
.set_name("Glycerol")
.set_condensable(True)
.build()
)
print(glycerol_gas)
atmosphere = (
AtmosphereBuilder()
.add_species(glycerol_gas)
.set_temperature(25, temperature_units="degC")
.set_pressure(1, pressure_units="atm")
.build()
)
print(atmosphere)
# Glycerol particle distribution
lognormal_rep = (
PresetParticleRadiusBuilder()
.set_mode(np.array([100]), "nm")
.set_geometric_standard_deviation(np.array([1.5]))
.set_number_concentration(np.array([1e4]), "1/cm^3")
.set_density(1.26, "g/cm^3")
.build()
)
Saturation concentration: 2.54e-03 kg/m^3 Glycerol Gas mixture at 298.15 K and 101325.0 Pa consisting of ['Glycerol']
Creating an Aerosol object¶
With both the Atmosphere and ParticleRepresentation objects created, we can now create an Aerosol object. This object will contain both the gas and particle phase objects, and will be used to track the state of the aerosol system during dynamics.
aerosol = Aerosol(atmosphere=atmosphere, particles=lognormal_rep)
print(aerosol)
Gas mixture at 298.15 K and 101325.0 Pa consisting of ['Glycerol'] [0]: Particle Representation: Strategy: RadiiBasedMovingBin Activity: ActivityIdealMass Surface: SurfaceStrategyVolume Mass Concentration: 1.106e-07 [kg/m^3] Number Concentration: 1.000e+10 [#/m^3]
Summary¶
In this tutorial, we demonstrated how to create an Aerosol object, which is the key object that will track the state of the aerosol system during dynamics. It is pretty simple, as the Aerosol object is just a collection of the Atmosphere and ParticleRepresentation objects and only functions as a container for these objects. It can also iterate over the Atmosphere and ParticleRepresentation objects.