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Simulation of PEI composition. The polymerization of aziridine was described by two reactions: Primary amines react with aziridine under formation of one primary and one secondary amine. Secondary amines react with aziridine under formation of one tertiary and one secondary amine. This reaction system was simulated starting from only primary amines under the assumptions that aziridine is always present in high excess, and the rates of both reactions are equal. Over time, the percentage of primary, secondary, and tertiary amines approached a limit of 38, 24, and 38%, respectively. The simulation was conducted by H.-J. Egelhaaf, University of Tübingen, employing the Origin program package. The simulated ratio was in accordance with the experimental findings for large, branched polymer (ref 29).
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