The pets class, found in addon/pycThermopack/thermopack/pets.py, inherits from the saft class, and is the interface to the PeTS Equation of State. This class implements utility methods to access mixing parameters etc.

Table of contents

• Constructor
  • __init__
  • init
• Utility methods
  • get_pure_params
  • set_pure_params

Constructor

Methods to initialise PeTS model.

Table of contents

• Constructor
  • __init__
  • init

__init__(self, parameter_reference='Default', minimum_temperature=2.0)

Initialize pets specific function pointers

Args:

     parameter_reference (str, optional):

          What parameters to use. Defaults to “Default”.

     minimum_temperature (float, optional):

          Minimum temperature considered by numerical solvers. Default value 2.0

         

init(self, parameter_reference='Default', minimum_temperature=2.0)

Initialize he PeTS equation of state for the LJ fluid truncated and shifted at 2.5 sigma. Reference: Heier et al. 2018 (10.1080/00268976.2018.1447153)

Args:

     parameter_reference (str, optional):

          What parameters to use. Defaults to “Default”.

     minimum_temperature (float, optional):

          Minimum temperature considered by numerical solvers. Default value 2.0

         

Utility methods

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

Table of contents

• Utility methods
  • get_pure_params
  • set_pure_params

get_pure_params(self)

Get pure fluid PeTS parameters

Returns:

     sigma (float):

          Segment diameter (m)

     eps_div_kb (float):

          Well depth divided by Boltzmann’s constant (K)

         

set_pure_params(self, c, sigma, eps_div_kb)

Set pure fluid PeTS parameters

Args:

     c (int) :

          Component index

     sigma (float):

          Segment diameter (m)

     eps_div_kb (float):

          Well depth divided by Boltzmann’s constant (K)