Gel effect function

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Description

The function calculate the change of kinetic constants due to gel effect

Usage

1
gel(y, pars, roM, roS, roP)

Arguments

y

vector of material and energy balance, as supplied by the function prepare

pars

vector of chemical-physical parameters, as supplied by the function prepare

roM

function of monomer density (Kg/L) vs. temperature (K)

roS

function of solvent density (Kg/L) vs. temperature (K)

roP

function of polymer density (Kg/L) vs. temperature (K)

Details

The function evaluate the reduction of kinetic constant of propagation, termination, initiation when gel effect take place. Several models are implemented: diffusional, segmental and reactive. User can choose among them by menu choice

Value

A list with the following elements:

  • Kt decrease of bimolecular termination constant by diffusional model

  • Kp decrease of propagation constant by diffusional model

  • Kd decrease of initiator factor efficiency by diffusional model

  • Kts decrease of bimolecular termination constant by segmental model

  • Ktrmin minimal decrease of bimolecular termination constant by segmental model

  • Ktrmax maximal decrease of bimolecular termination constant by segmental model

  • PhiMvolumetric volume fraction for Monomer

  • PhiS volumetric volume fraction for Solvent

  • PHiP volumetric volume fraction for Polymer

  • K3 gel point parameter

  • K3test gel point test parameter

  • MwrMolecular weight at the gel point start

  • Vfr Free volume at the gel point start

  • Mw Actual molecular weight

  • Vf Actual free volume

  • Vfcr Critical free volume

Author(s)

Gianmarco Polotti