activity_coefficients¶
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class
thermosteam.equilibrium.activity_coefficients.
ActivityCoefficients
[source]¶ Abstract class for the estimation of activity coefficients. Non-abstract subclasses should implement the following methods:
- __init__(self, chemicals: Iterable[Chemicals]):
Should use pure component data from chemicals to setup future calculations of activity coefficients.
- __call__(self, x: 1d array, T: float):
Should accept an array of liquid molar compositions x, and temperature T (in Kelvin), and return an array of activity coefficients. Note that the molar compositions must be in the same order as the chemicals defined when creating the ActivityCoefficients object.
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property
chemicals
¶ tuple[Chemical] All chemicals involved in the calculation of activity coefficients.
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class
thermosteam.equilibrium.activity_coefficients.
IdealActivityCoefficients
(chemicals)[source]¶ Create an IdealActivityCoefficients object that estimates all activity coefficients to be 1 when called with a composition and a temperature (K).
- Parameters
chemicals (Iterable[Chemical]) –
-
class
thermosteam.equilibrium.activity_coefficients.
GroupActivityCoefficients
[source]¶ Abstract class for the estimation of activity coefficients using group contribution methods.
- Parameters
chemicals (Iterable[Chemical]) –
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class
thermosteam.equilibrium.activity_coefficients.
UNIFACActivityCoefficients
[source]¶ Create a UNIFACActivityCoefficients that estimates activity coefficients using the UNIFAC group contribution method when called with a composition and a temperature (K).
- Parameters
chemicals (Iterable[Chemical]) –
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class
thermosteam.equilibrium.activity_coefficients.
DortmundActivityCoefficients
[source]¶ Create a DortmundActivityCoefficients that estimates activity coefficients using the Dortmund UNIFAC group contribution method when called with a composition and a temperature (K).
- Parameters
chemicals (Iterable[Chemical]) –