Contents
Properties
Clapeyron.mean_ionic_activity_coefficient
— Functionmean_ionic_activity_coefficient(model::ESElectrolyteModel,salts,p,T,m,zsolvent=[1.])
Calculate the mean ionic activity coefficient of selection of salts at a given pressure, temperature and molality. These are defined as:
γ± = φ±/φ±₀ * ∑zsolv/∑z
Example:
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.])
Calculate the mean ionic activity coefficient of selection of salts at the saturation point at a certain temperature and molality. These are defined as:
γ± = φ±/φ±₀ * ∑zsolv/∑z
Example:
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.])
Calculate 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.])
Calculate the osmotic coefficient of selection of solvents at the saturation point at a certain 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))]
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.