gel: Gel effect function

In HomoPolymer: Theoretical Model to Simulate Radical Polymerization

Description

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

Usage

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

HomoPolymer documentation built on May 29, 2017, 2:57 p.m.