Use of Continuous System Modeling Program (CSMP) to Simulate Polymerization, Polycondensation, and Polymer Modification Reactions

1985

Polym J

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Section: IImentioning

confidence: 80%

Section: Computer Simulation Of Epimerization Reactionmentioning

confidence: 99%

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Epimerization and NMR Spectra of Poly(2-vinylpyridine)

Dworak

Freeman

1985

Polym J

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Copolymerization at high conversion when the concentration of one monomer does not change

J. Polym. Sci. A Polym. Chem.

2000

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Exact equations and several computer programs were developed for use in studies on copolymerizations carried to high conversion when the concentration of one of the monomers (A) remains constant. Simple ACSL® and DESIRE® programs are described for simulating such copolymerizations, and their output was used to test programs and procedures that were developed to evaluate monomer reactivity ratios for such copolymerization systems. Based on an integrated form of the copolymer equation, Excel® and Fortran programs were developed for evaluating monomer reactivity ratios from information about initial monomer compositions, copolymer compositions, and the fractions of the second monomer (B) that reacted. A graphical procedure for evaluating monomer reactivity ratios from such data was also developed. A previous program developed for calculating information about monomer sequence distributions in copolymers was modified so that it would apply to copolymerization at high conversion when the concentration of one monomer remains constant. © 2000 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 38: 1118–1128, 2000

Structures and compositions of copolymers

Makromolekulare Chemie. Macromolecular Symposia

1987

190

Although studies on reactions of model radicals with olefins are becoming of increasing importance, most understanding of copolymerization has come from studies on copolymer composition and monomer unit sequence distribution information. A number of models for copolymerization have resulted from such studies. For most copolymerization systems the terminal model provides an adequate representation, but more complicated models which allow for the effects of penultimate units on radical reactivity, for reversibility of propagation steps and for participation of monomer complexes in copolymerization processes must be considered in some cases. Modeling of such copolymerization systems is considerably simplified by computer‐oriented approaches such as matrix–multiplication, Monte Carlo simulation and CSMP or ACSL programming. Recent studies on solvent effects in copolymerizations involving polar monomers indicate that partitioning of monomers between solvent and growing polymer radicals is a very significant phenomenon.