Contents
Properties
Clapeyron.mean_ionic_activity_coefficient — Functionmean_ionic_activity_coefficient(model::ESElectrolyteModel,salts,p,T,m,zsolvent=[1.])Calculates the mean ionic activity coefficient of selection of salts at a given pressure p, temperature T and molality m. These are defined as:
γ± = φ±/φ±₀ * ∑zsolv/∑zExample:
model = ePCSAFT(["water"],["sodium","chloride"])
salts = [("sodium chloride",("sodium"=>1,"chloride"=>1))]
p = 1e5
T = 298.15
m = [1.0]
γ± = mean_ionic_activity_coefficient(model,salts,p,T,m)If multiple solvents are present, the composition of the solvent can be specified with the zsolvent keyword argument.
Clapeyron.mean_ionic_activity_coefficient_sat — Functionmean_ionic_activity_coefficient_sat(model::ESElectrolyteModel,salts,T,m,zsolvent=[1.])Calculates the mean ionic activity coefficient of selection of salts at the saturation point at a certain temperature T and molality m. These are defined as:
γ± = φ±/φ±₀ * ∑zsolv/∑zExample:
model = ePCSAFT(["water"],["sodium","chloride"])
salts = [("sodium chloride",("sodium"=>1,"chloride"=>1))]
T = 298.15
m = [1.0]
γ± = mean_ionic_activity_coefficient_sat(model,salts,T,m)If multiple solvents are present, the composition of the solvent can be specified with the zsolvent keyword argument.
Clapeyron.osmotic_coefficient — Functionosmotic_coefficient(model::ESElectrolyteModel,salts,p,T,m,zsolvent=[1.])Calculates the osmotic coefficient of selection of solvents at a given pressure, temperature and molality. These are defined as:
ϕ = -1/(∑νi*mi*Mw)*log(asolv)Example:
model = ePCSAFT(["water"],["sodium","chloride"])
salts = [("sodium chloride",("sodium"=>1,"chloride"=>1))]
p = 1e5
T = 298.15
m = [1.0]
ϕ = osmotic_coefficient(model,salts,p,T,m)If multiple solvents are present, the composition of the solvent can be specified with the zsolvent keyword argument.
Clapeyron.osmotic_coefficient_sat — Functionosmotic_coefficient_sat(model::ESElectrolyteModel,salts,T,m,zsolvent=[1.])Calculates the osmotic coefficient of selection of solvents at the saturation point at a certain temperature T and molality m. These are defined as:
ϕ = -1/(∑νi*mi*Mw)*log(asolv)Example:
model = ePCSAFT(["water"],["sodium","chloride"])
salts = [("sodium chloride",("sodium"=>1,"chloride"=>1))]
T = 298.15
m = [1.0]
ϕ = osmotic_coefficient(model,salts,T,m)If multiple solvents are present, the composition of the solvent can be specified with the zsolvent keyword argument.
Helper functions
Clapeyron.molality_to_composition — Functionmolality_to_composition(model::ElectrolyteModel,salts,m,zsolv=[1.])Convert molality (mol/kg) to composition for a given model, salts, molality, and solvent composition.
Other electrolyte utilities
Clapeyron.dielectric_constant — Functiondielectric_constant(model::ElectrolyteModel, V, T, z)Calculates the dielectric constant (also known as relative static permittivity) for a given electrolyte model.
Examples
model = ConstRSP()
εr = dielectric_constant(model, 1.8e-5, 298.15, [1.0])