SLE#
- class SLE(imol=None, thermal_condition=None, thermo=None, activity_coefficient=None)[source]#
Create an SLE object that performs solid-liquid equilibrium for a given solute when called with a temperature and pressure.
- Parameters:
imol=None (
MaterialIndexer, optional) – Molar chemical phase data is stored here.thermal_condition=None (
ThermalCondition, optional) – The temperature and pressure used in calculations are stored here.thermo=None (
Thermo, optional) – Themodynamic property package for equilibrium calculations. Defaults to thermosteam.settings.get_thermo().activity_coefficient=None (float) – Activity coefficient of solute in the liquid; only valid if thermo.Gamma is
IdealActivityCoefficients.
Examples
Solve SLE of glucose in water:
>>> from thermosteam import Chemical, indexer, equilibrium, settings >>> Glucose = Chemical('Glucose', Tm=419.15, Hfus=19930) >>> Glucose.Cn.s.add_model(224.114064, top_priority=True) >>> Glucose.Cn.l.add_model(360.312, top_priority=True) # More or less in solution >>> settings.set_thermo(['Water', Glucose], cache=True) >>> imol = indexer.MolarFlowIndexer(l=[('Water', 10), ('Glucose', 1)], phases=('s', 'l')) >>> sle = equilibrium.SLE(imol) >>> sle('Glucose', T=298.15) # Given T >>> sle SLE(imol=MolarFlowIndexer( l=[('Water', 10), ('Glucose', 0.01308)], s=[('Glucose', 0.9869)]), thermal_condition=ThermalCondition(T=298.15, P=101325)) >>> sle('Glucose', H=0.) # Given H >>> sle SLE(imol=MolarFlowIndexer( l=[('Water', 10), ('Glucose', 0.01306)], s=[('Glucose', 0.9869)]), thermal_condition=ThermalCondition(T=298.06, P=101325))
Results may not be too accurate sometimes, but the solubility (mol fraction of solute in solvent) may be specified:
>>> sle('Glucose', T=298.15, solubility=0.0833) # Given T >>> sle SLE(imol=MolarFlowIndexer( l=[('Water', 10), ('Glucose', 0.9087)], s=[('Glucose', 0.09131)]), thermal_condition=ThermalCondition(T=298.15, P=101325)) >>> sle('Glucose', H=90, solubility=0.0833) # Given H >>> sle SLE(imol=MolarFlowIndexer( l=[('Water', 10), ('Glucose', 0.9087)], s=[('Glucose', 0.09131)]), thermal_condition=ThermalCondition(T=292.41, P=101325))
Solve SLE of tetradecanol in octanol:
>>> from thermosteam import indexer, equilibrium, settings >>> settings.set_thermo(['Methanol', 'Tetradecanol'], cache=True) >>> imol = indexer.MolarFlowIndexer(l=[('Methanol', 10), ('Tetradecanol', 30)], phases=('s', 'l')) >>> sle = equilibrium.SLE(imol) >>> sle('Tetradecanol', T=300) # Given T >>> sle SLE(imol=MolarFlowIndexer( l=[('Methanol', 10), ('Tetradecanol', 19.07)], s=[('Tetradecanol', 10.93)]), thermal_condition=ThermalCondition(T=300.00, P=101325)) >>> sle('Tetradecanol', H=0.) # Given H >>> sle SLE(imol=MolarFlowIndexer( l=[('Methanol', 10), ('Tetradecanol', 6.116)], s=[('Tetradecanol', 23.88)]), thermal_condition=ThermalCondition(T=287.31, P=101325))
Solve SLE of pure tetradecanol:
>>> from thermosteam import indexer, equilibrium, settings >>> settings.set_thermo(['Octanol', 'Tetradecanol'], cache=True) >>> imol = indexer.MolarFlowIndexer(l=[('Tetradecanol', 30)], phases=('s', 'l')) >>> sle = equilibrium.SLE(imol) >>> sle('Tetradecanol', T=300) # Under melting point given T >>> sle SLE(imol=MolarFlowIndexer(phases=('l', 's'), s=[('Tetradecanol', 30)]), thermal_condition=ThermalCondition(T=300.00, P=101325)) >>> sle('Tetradecanol', T=320) # Over melting point given T >>> sle SLE(imol=MolarFlowIndexer(phases=('l', 's'), l=[('Tetradecanol', 30)]), thermal_condition=ThermalCondition(T=320.00, P=101325)) >>> sle('Tetradecanol', H=0.) # Under melting point given H >>> sle SLE(imol=MolarFlowIndexer(phases=('l', 's'), s=[('Tetradecanol', 30)]), thermal_condition=ThermalCondition(T=298.15, P=101325)) >>> sle('Tetradecanol', H=1000000) # Over melting point given H >>> sle SLE(imol=MolarFlowIndexer(phases=('l', 's'), l=[('Tetradecanol', 30)]), thermal_condition=ThermalCondition(T=317.59, P=101325)) >>> sle('Tetradecanol', H=500000) # At melting point given H >>> sle SLE(imol=MolarFlowIndexer( l=[('Tetradecanol', 13.2)], s=[('Tetradecanol', 16.8)]), thermal_condition=ThermalCondition(T=312.65, P=101325))