The ModTangToennies class, found in pykingas/multiparam.py, inherrits from the py_KineticGas class, and is the interface to the Modified Tang-Toennies Model. This class implements utility methods to access mixing parameters etc.

Table of contents

• Constructor
  • __init__
• Utility methods
  • potential
  • potential_r
  • potential_rr
  • second_virial
  • vdw_alpha

Constructor

Methods to initialise Modified Tang-Toennies model.

Table of contents

• Constructor
  • __init__

__init__(self, comps, parameter_ref='default')

Initialize modified Tang-Toennies potential

Args:

     comps (str) :

          Single component identifier

     parameter_ref (str, optional) :

          Identifier for parameter set to use

Utility methods

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

Table of contents

• Utility methods
  • potential
  • potential_r
  • potential_rr
  • second_virial
  • vdw_alpha

potential(self, r)

Evaluate potential

Args:

     r (float) :

          Distance (m)

Returns:

     float :

          Potential (J)

potential_r(self, r)

Evaluate potential derivative wrt. distance

Args:

     r (float) :

          Distance (m)

Returns:

     float :

          Potential derivative wrt. distance (N)

potential_rr(self, r)

Evaluate potential second derivative wrt. distance

Args:

     r (float) :

          Distance (m)

Returns:

     float :

          Potential second derivative wrt. distance (N / m)

second_virial(self, T)

Compute second virial coefficient

Args:

     T (float) :

          Temperature (K)

Returns:

     float :

          Second virial coefficient

vdw_alpha(self)

Get the dimensionless Van der Waals alpha-parameter

Returns:

     float :

          alpha (-)