Equations of State

Here we list list the available equations of state and the function used to access them.

initiate_eos(eos='saft.gamma_mie', numba=True, cython=False, python=False, **kwargs)

Interface between the user and our library of equations of state (EOS).

Input the name of a desired EOS and available classes are automatically searched to allow easy implementation of new EOS.

Parameters:

• eos (str, Optional, default=”saft.gamma_mie”) – Name of EOS, see Available EOS in the documentation for additional options. Input should be in the form EOSfamily.EOSname (e.g. saft.gamme_mie).

• numba (bool, Optional, default=False) – If True and available for chosen EOS, numba Just-In-Time compilation is used.

• cython (bool, Optional, default=False) – If True and available for chosen EOS, cython pre-compiled modules are used.

• python (bool, Optional, default=False) – If True and available for chosen EOS, pure python is used for everything, note that if association sites are present in the SAFT EOS, this is detrimentally slow

• kwargs – Other keyword argument inputs for the desired EOS. See specific EOS documentation for required inputs.

Returns:

instance – An instance of the defined EOS class to be used in thermodynamic computations.

Return type:

obj

Available EOS

• SAFT
• Peng-Robinson

Supporting Modules

despasito.equations_of_state.eos_toolbox
despasito.equations_of_state.combining_rule_types	Combining rules options called from combining_rules() in the EOS class.