COPOINT – a simple computer program to determine copolymerization parameters by numerical integration

Abstract

A computer program is introduced that evaluates the parameters of binary copolymerizations from comonomer/copolymer composition data as obtained from polymerization experiments with finite monomer conversion. The program numerically integrates a given copolymerization equation in its differential form and can be applied to a broad variety of functions. Copolymerization parameters are obtained by minimizing the sum of square differences between measured and calculated polymer compositions with respect to the copolymerization parameters. Errors of the fitted parameters are estimated from the statistical error of the sum of square differences, as well as from a quadratic approximation of this sum in the vicinity of the optimized values of the copolymerization parameters.

Statistical Copolymers of N-Vinylpyrrolidone and Isobornyl Methacrylate via Free Radical and RAFT Polymerization: Monomer Reactivity Ratios, Thermal Properties, and Kinetics of Thermal Decomposition

“…The reactivity ratios, rr, of the statistical copolymers that were prepared by free radical polymerization, were determined by exploiting the following methods: Fineman-Ross [ 41 ], inverted Fineman-Ross [ 41 ], Kelen- Tüdos [ 42 ], extended Kelen- Tüdos [ 42 ] along with the computer program COPOINT [ 43 ]. All of the monomer reactivity ratios, in this case, were calculated in accordance with the terminal model [ 1 , 39 ].…”

Synthesis of Terpolymers with Homogeneous Composition by Free Radical Copolymerization of Maleic Anhydride, Perfluorooctyl and Butyl or Dodecyl Methacrylates: Application of the Continuous Flow Monomer Addition Technique

“…The sequence of repeating units in the terpolymer can be predicted from the knowledge of the terpolymerization equations which require six copolymerization parameters of the three binary co-monomer pairs [ 7 , 8 ]. Based on that model (by inserting Equations (5)–(7) into Equations (2)–(4) and some transformations), the monomer incorporation ratios can be described by following equations (Equations (8)–(10)): where [M i ] is the concentration of monomer i, and r ij /r ji is the copolymerization parameter of monomer pair i/j.…”

Statistical Ring Opening Metathesis Copolymerization of Norbornene and Cyclopentene by Grubbs’ 1st-Generation Catalyst

“…The monomer reactivity ratios were determined using the Finemann-Ross (FR) [42], inverted Finemann-Ross (IFR) [42], and Kelen-Tüdos (KT) [43] graphical methods. A computer program, called COPOINT, was also employed [44]. According to the Finemann-Ross method, the monomer reactivity ratios can be obtained by the equation: G = H r NBE − r CP where the reactivity ratios, r NBE and r CP correspond to the NBE and CP monomers, respectively.…”