calc_massi

despasito.equations_of_state.eos_toolbox.calc_massi

calc_massi(molecular_composition, bead_library, beads)

This function extracted the mass of each component

Parameters:

• molecular_composition (numpy.ndarray) – \(\nu_{i,k}/k_B\). Array of number of components by number of bead types. Defines the number of each type of group in each component.

• bead_library (dict) – A dictionary where bead names are the keys to access EOS self interaction parameters:

  • mass: Bead mass [kg/mol]

• beads (list[str]) – List of unique bead names used among components

Returns:

massi – Bead mass corresponding to array beads [kg/mol]

Return type:

numpy.ndarray