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 °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.

中文翻译：

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具有温度效应的PO3G模型中的参数估计

从七个实验运行中收集到的包含1779个测量值的综合数据集，用于基于生物的1,3-丙二醇的间歇缩聚模型中的参数估计。数据来自在160至180°C之间使用浓度为0.1至0.25 wt％的超强酸催化剂进行的动态实验。该模型考虑了线性和环状低聚物的产生，消耗和蒸发，水对缩聚速率的抑制作用以及塔顶冷凝器的动态行为。该模型总共包含70个动力学，传输和热力学参数。均方误差准则表明温度对传质系数的影响很大。该模型可以很好地拟合数据，还可以提供未用于参数估计的验证数据的可靠预测。模型预测和数据之间的典型偏差在线性和环状低聚物的平均测量值的1.75％以内。