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首页> 外文期刊>Journal of Applied Polymer Science >Extracting kinetic parameters of aniline polymerization from thermal data of a batch reactor. Simulation of the thermal behavior of a reactor
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Extracting kinetic parameters of aniline polymerization from thermal data of a batch reactor. Simulation of the thermal behavior of a reactor

机译：从间歇反应器的热数据中提取苯胺聚合的动力学参数。反应堆热行为模拟

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摘要

A simulation model of the thermal behavior of a reactor during aniline polymerization is proposed. The model takes into account the polymerization mechanism together with heat production and dissipation. The temperature-time profiles can be simulated with different kinetic parameters. The model is used for two purposes: to extract kinetic parameters by fitting experimental temperature-time profiles of a cooled agitated batch reactor; and to estimate the temperatures changes occurring in a reactor under different experimental conditions to find the best conditions for industrial production of polyaniline. The rate equation used includes two rate constants: one in the absence of polymer (k_1) and another in the presence of polymer (k_2). The thermal factors, such as the heat transfer coefficient and the reaction enthalpy, are experimentally measured. A computer program is written that fits the experimental data using different kinetic parameters. The data analysis shows a temperature peak (T_(max)) whose magnitude decreases when k_ 2 decreases, whereas it is not affected by k_1. The time to reach the T_(max) is inversely proportional to k_1 and k_ 2. The model allows obtaining the kinetic parameters in different reaction media, e.g. varying the concentration of acid. The model is used to simulate the thermal behavior, to polymerize 1M of aniline: in one step the temperature of the reactor will increase till 82°C, such thermal runaway will cause polymer degradation, successive additions of portions of the total oxidant amount, paced at defined time intervals, is devised to maintain low temperatures while producing the same amount of polymer.
机译：提出了苯胺聚合反应器热行为的模拟模型。该模型考虑了聚合机理以及热量的产生和散发。可以用不同的动力学参数模拟温度-时间曲线。该模型用于两个目的：通过拟合冷却的搅拌式间歇反应器的实验温度-时间曲线来提取动力学参数。并估算在不同实验条件下反应器中发生的温度变化，从而找到工业生产聚苯胺的最佳条件。所使用的速率方程式包括两个速率常数：一个不存在聚合物（k_1），另一个不存在聚合物（k_2）。通过实验测量热因子，例如传热系数和反应焓。编写了一个使用不同动力学参数拟合实验数据的计算机程序。数据分析显示了一个温度峰（T_（max）），当k_2减小时，其幅度减小，而不受k_1的影响。达到T_（max）的时间与k_1和k_2成反比。该模型可以获取不同反应介质（例如，反应介质）中的动力学参数。改变酸的浓度。该模型用于模拟热行为，聚合1M苯胺：第一步，反应器温度将升高至82°C，这样的热失控将导致聚合物降解，逐步添加部分总氧化剂，设计了在限定的时间间隔内保持低温，同时生产相同量的聚合物。

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