Premium
On the contribution of covalent and ionic species to the chain growth. Monte Carlo simulations and theoretical considerations
Author(s) -
Szymanski Ryszard
Publication year - 1995
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1995.040040506
Subject(s) - covalent bond , ionic bonding , monte carlo method , cationic polymerization , monomer , chemistry , intramolecular force , polymerization , computational chemistry , chain (unit) , work (physics) , chemical physics , statistical physics , thermodynamics , polymer chemistry , physics , polymer , ion , stereochemistry , mathematics , organic chemistry , quantum mechanics , statistics
Contributions of the covalent and ionic species to the chain building in cationic reversible polymerizations are analyzed by means of Monte Carlo simulations and by solving the formulated set of equations. The validity of the equation for the contribution of covalent propagation, derived for reversible polymerization with simplifying assumptions, is discussed. It is shown that repeating units incorporated into the chain by covalent propagations are distributed uniformly only when direct monomer insertion into covalent bonds is not possible, or when intramolecular interconversion of covalent and ionic species is very fast in comparison with propagation.