Parameter Estimation in a PO3G Model with Temperature Effects

Vo Anh-Duong Dieu; Spence Rupert E.; McAuley Kimberley B.

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Parameter Estimation in a PO3G Model with Temperature Effects

机译：高温效应的PO3G模型中的参数估计

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A comprehensive dataset containing 1779 measured values, collected from seven experimental runs, is used for parameter estimation in a model for batch polycondensation of biobased 1,3-propanediol. The data are from dynamic experiments conducted between 160 and 180 degrees C using a super-acid catalyst with concentrations between 0.1 and 0.25 wt%. The model accounts for generation, consumption, and evaporation of linear and cyclic oligomers, the inhibitory influence of water on the rate of polycondensation, and the dynamic behavior of an overhead condenser. In total, the model contains 70 kinetic, transport, and thermodynamic parameters. A mean-squared-error criterion reveals that the influence of temperature on mass-transfer coefficients is significant. The model provides a good fit to the data and also gives reliable predictions of validation data that are not used in parameter estimation. Typical deviations between model predictions and data are within 1.75% of average measured values for linear and cyclic oligomers.

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来源
《Macromolecular theory and simulations》 |2021年第1期|共13页
作者
Vo Anh-Duong Dieu; Spence Rupert E.; McAuley Kimberley B.;
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作者单位

Queens Univ Dept Chem Engn Kingston ON K7K 3N6 Canada;

EI Pont Canada Co Res &

Business Dev Kingston ON K7L 5A5 Canada;

Queens Univ Dept Chem Engn Kingston ON K7K 3N6 Canada;

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原文格式 PDF
正文语种 eng
中图分类高分子化学（高聚物）;
关键词
activation energy; mathematical model; polyether; polymerization; propanediol;

机译：激活能量;数学模型;聚醚;聚合;丙二醇;

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Parameter Estimation in a PO3G Model with Temperature Effects

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