传质动力学模型中未知参数的辨识

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2023-09-04 DOI:10.3846/mma.2023.16403
V. Zavialov, Oleksii Lobok, T. Mysiura, Nataliia Popova, V. Chornyi, Taras Pohorilyi
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引用次数: 0

摘要

提出了一种基于贝叶斯方法的数学模型未知参数识别迭代算法,该算法可以确定这些参数最可能的最大信息估计。以传质动力学数学模型为例,给出了求未知参数向量最可能和信息量最大的估计的算法,并分析了相应步骤的顺序。计算实验结果表明,初始近似点的选择对计算结果有显著的依赖性,初始近似选择不成功会减慢迭代过程的收敛速度(甚至发散速度)。分析结论、计算实验结果和统计模型证明了所得结果的有效性。计算实验的结果表明,对于给定的精度,所提出的算法具有足够高的收敛性,并且不仅可以基于后验分析推导出数学模型参数点值的估计,而且可以推导出这些估计的置信区间。同时,需要注意的是,计算结果在很大程度上取决于初始近似点的选择和初始近似选择不成功时迭代过程收敛速度的减慢。分析研究和计算结果证实了所提出的识别算法的有效性,这使得在积极的、有目的的实验的帮助下,建立更精确的数学模型成为可能。根据该算法,在MatLab数学包中编写了程序,并进行了计算实验。
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Identification of unknown parameters of the Dynamic Model of mass Transfer
An iterative algorithm for identifying unknown parameters of a mathematical model based on the Bayesian approach is proposed, which makes it possible to determine the most probable maximum informative estimates of these parameters. The example of the mathematical model of mass transfer dynamics shows the algorithm for finding the most probable and most informative estimate of the vector of unknown parameters, and also an analysis of the sequence of the corresponding steps is given. The results of computational experiments showed a significant dependence of the results of the calculations on the choice of the initial approximation point and slowing down the rate of convergence of the iterative process (and even its divergence) with an unsuccessful choice of the initial approximation. The validity of the obtained results is provided by analytical conclusions, the results of computational experiments, and statistical modeling. The results of computational experiments make it possible to assert that the proposed algorithm has a sufficiently high convergence for a given degree of accuracy and makes it possible to derive not only estimates of point values of mathematical model parameters based on a posteriori analysis, but also confidence intervals of these estimates. At the same time, it should be noted that the results of calculations depend significantly on the choice of the initial approximation point and the slowing of the convergence rate of the iterative process with an unsuccessful choice of the initial approximation. Analytical studies and results of calculations confirm the effectiveness of the proposed identification algorithm, which makes it possible, with the help of active, purposeful experiments, to build more accurate mathematical models. In accordance with the algorithm, a program was developed in the MatLab mathematics package and computational experiments were performed.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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