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Kinetic modeling of free‐radical graft polymerization
Author(s) -
Chaimberg Mark,
Cohen Yoram
Publication year - 1994
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690400209
Subject(s) - kinetic chain length , polymerization , radical polymerization , monomer , polymer , molar mass distribution , polymer chemistry , yield (engineering) , chemistry , chain transfer , chain growth polymerization , viscosity , solution polymerization , materials science , chemical engineering , thermodynamics , organic chemistry , composite material , physics , engineering
The kinetic model of free‐radical surface graft polymerization developed is based on a conservational polymerization and molecular‐weight distribution (CPMWD) numerical algorithm. The CPMWD model uses an implicit numerical technique to solve for the coupled monomer, surface site, and total growing polymer differential rate equations, which ensure that conservation of mass is maintained. The model formulation allows for the incorporation of kinetic rate coefficients, which are a function of the chain length of the reacting species, the solution viscosity, and the concentration of surface grafted polymer. The model also makes it possible to evaluate the monomer conversion, the graft yield and the molecular weight distributions of the homopolymer and surface‐grafted polymer for the complete duration of the graft polymerization reaction. Its application was demonstrated for a model system of vinylpyrrolidone graft polymerization onto the surface of a silica substrate.