The saftvrmie class, found in addon/pycThermopack/thermopack/saftvrqmie.py, is the interface to the SAFT-VRQ Mie Equation of State. NOTE: This class inherits the saftvrmie class, and thereby has access to the model control and utility methods found there. The saftvrmie class inherits the saft class, which in turn inherits the thermo class. This class implements utility methods specific to the SAFT-VRQ Mie EoS.

Table of contents

• Constructor
  • __init__
  • init
• Utility methods
  • get_feynman_hibbs_order
  • print_saft_parameters
  • set_deboer
  • set_mass

Constructor

Methods to initialise SAFT-VRQ Mie model.

Table of contents

• Constructor
  • __init__
  • init

__init__(self, comps=None, feynman_hibbs_order=1, additive_hard_sphere_reference=False, parameter_reference='Default', minimum_temperature=None)

Initialize SAFT-VRQ Mie model in thermopack Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. I. Application to pure helium, neon, hydrogen, and deuterium (doi.org/10.1063/1.5111364 Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. II. Application to mixtures of helium, neon, hydrogen, and deuterium (doi.org/10.1063/1.5136079) If no components are specified, model must be initialized for specific components later by direct call to ‘init’ Model can at any time be re-initialized for new components or parameters by direct calls to ‘init’

Args:

     comps (str, optional):

          Comma separated list of component names

     feynman_hibbs_order (int):

          Order of Feynman-Hibbs quantum corrections (1 or 2 supported). Defaults to 1.

     additive_hard_sphere_reference (boolean):

          Use additive hard-sphere reference? Defaults to false.

     parameter_reference (str, optional):

          Which parameters to use?. Defaults to “Default”.

     minimum_temperature (float, optional) :

          Is passed directly to thermopack::set_tmin()

         

init(self, comps, feynman_hibbs_order=1, additive_hard_sphere_reference=False, parameter_reference='Default', minimum_temperature=None)

Initialize SAFT-VRQ Mie model in thermopack Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. I. Application to pure helium, neon, hydrogen, and deuterium (doi.org/10.1063/1.5111364 Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. II. Application to mixtures of helium, neon, hydrogen, and deuterium (doi.org/10.1063/1.5136079)

Args:

     comps (str):

          Comma separated list of component names

     feynman_hibbs_order (int):

          Order of Feynman-Hibbs quantum corrections (1 or 2 supported). Defaults to 1.

     additive_hard_sphere_reference (boolean):

          Use additive hard-sphere reference? Defaults to false.

     parameter_reference (str, optional):

          Which parameters to use?. Defaults to “Default”.

     minimum_temperature (float, optional) :

          Is passed directly to thermo.set_tmin()

         

Utility methods

Set- and get methods for interaction parameters, mixing parameters …

Table of contents

• Utility methods
  • get_feynman_hibbs_order
  • print_saft_parameters
  • set_deboer
  • set_mass

get_feynman_hibbs_order(self, c)

Get Feynman-Hibbs order

Args:

     c (int):

          Component index (FORTRAN)

Returns:

     int:

          Feynman-Hibbs order

         

print_saft_parameters(self, c)

Print saft parameters for component c

Args:

     c (int):

          Component index (FORTRAN)

         

         

set_deboer(self, ic, deboer)

Set deboer constant Lambda, an adimensional parameter Lambda = h/(sigma_isqrt(m_iepsdivk_i). It is equivalent to setting mass.

Args:

     ic (int):

          Component index

     Lambda (float):

          deboer parameter of

          component ic [-]

         

set_mass(self, ic, mass)

Set mass

Args:

     ic (int):

          Component index

     m (float):

          Mass of component ic [kg]