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In the second diagnostic stage, it is important to investigate the accuracy of the reactivity ratios by running additional checks. Model predictions (using reactivity ratio estimates) for the terpolymer composition over the polymerization trajectory are compared to experimentally measured terpolymer compositions. An acceptable agreement between predicted and experimental results reflects the reliability and accuracy of the reactivity ratios for the terpolymerization system.
Thus, direct numerical integration (DNI) was applied to the recast version of the instantaneous terpolymer composition equation (see Equation (2)) using newly determined reactivity ratio estimates.