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Estimating thermal degradation kinetics parameters from the endpoints of non-isothermal heat processes or storage

机译:从非等温热过程或存储的端点估计热降解动力学参数

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摘要

Where specimen retrieval for chemical analysis is not an option, as during a UHT process, or impeded by logistic considerations as in storage studies, a thermal degradation reaction's kinetic parameters can be estimated from the nutrient's or other compound's final concentrations after three or more known but different non-isothermal temperature histories. Provided the reaction follows fixed yet unknown order kinetics and its rate constant's temperature dependence follows a two-parameter algebraic model, the kinetic parameter estimation can be done by solving three simultaneous equations, themselves being the numerical solutions of three corresponding differential rate equations. In computer simulations of heat sterilization processes and storage under oscillating temperatures that include small experimental scatter, the reaction's kinetic order, its rate at a reference temperature, and the rate's temperature dependence were estimated from the final concentrations and correctly predicted dynamic degradation curves not used in their determination. The method's predictive ability was also tested with published experimental isothermal degradation data on ascorbic acid, patulin, sulforaphane, and thiamine, where the final concentrations at temperatures not used in the parameters determination were estimated from three endpoints. The described method only works where the above mentioned conditions are fully satisfied. Where applicable, it eliminates the need to experimentally determine sets of complete isothermal degradation curves, which might be impractical or too costly.
机译:如果无法选择样品进行化学分析(例如在UHT过程中),或者由于存储研究中的后勤考虑而受阻,则可以在营养素或其他化合物的三个或三个以上已知浓度后,根据营养物或其他化合物的最终浓度估算热降解反应的动力学参数。不同的非等温温度历史。假设反应遵循固定但未知的阶数动力学,并且其速率常数的温度依赖性遵循两参数代数模型,则可以通过求解三个联立方程来完成动力学参数估计,这三个方程本身就是三个相应的微分速率方程的数值解。在包括小实验散布在内的振荡温度下的热灭菌过程和存储的计算机模拟中,反应的动力学顺序,参考温度下的速率以及速率对温度的依赖性是根据最终浓度和正确预测的动态降解曲线估算出来的他们的决心。还用抗坏血酸,棒曲蛋白,萝卜硫烷和硫胺素的已发布实验等温降解数据测试了该方法的预测能力,其中从三个终点估算了未用于参数确定的温度下的最终浓度。所描述的方法仅在完全满足上述条件的情况下才起作用。在适用的情况下,它无需实验确定完整的等温降解曲线集,而这可能是不切实际的或过于昂贵的。

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