Aassoc

Description

EOS object for SAFT association sites contributions to the Helmholtz energy

Functions

assoc_site_indices(nk, molecular_composition)

Make a list of sets of indices that allow quick identification of the relevant association sites.

calc_assoc_matrices(beads, bead_library, ...)

Generate matrices used for association site calculations.

calc_bonding_volume(rc_klab, dij_bar[, ...])

Calculate the association site bonding volume matrix

initiate_assoc_matrices(beads, bead_library, ...)

Generate matrices used for association site calculations.