Estimating Kinetic Parameters for the Spontaneous Polymerization of Glycidol at Elevated Temperatures

MACROMOLECULAR THEORY AND SIMULATIONS(2012)

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摘要
The ring-opening polymerization of glycidol at elevated temperatures is investigated. To improve the synthesis of dendritic polyether polyols, experiments are carried out without initiator to identify the influence of thermal side reactions. This results in a step-growth polymerization caused by the spontaneous combination of monomers. Kinetic parameters of the side reactions are estimated by fitting simulated number- and weight-average molecular weights to the experimental values measured at different reaction times during the polymerization. The reactions are conducted at three different temperatures of 90, 105, and 120?degrees C. It is shown that thermal side reactions lead to high dispersities of the final product and are highly sensitive to the reactor operating temperature.
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关键词
computer modeling,dendritic polyglycerols,parameter estimation,predici,ring-opening polymerization
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