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Global sensitivity based estimability analysis for the parameter identification of Pitzer's thermodynamic model

机译:基于全局敏感性的Pitzer热力学模型参数识别的可估计性分析

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摘要

This paper deals with parameter estimability analysis and identification of the Pitzer model used in the prediction of thermodynamic properties and phase equilibria of electrolytic solutions. The estimability analysis method used is based on the orthogonalization of a sensitivity matrix to rank the unknown parameters from the most estimable to the least estimable. Although the obtained results are interesting, the algorithm shows its limits since it is based on the local sensitivities of the outputs with respect to the unknown parameters of the model and may significantly affect the reliability of the model. In this work, the algorithm is improved by computing the sensitivities by means of the method of global sensitivity analysis. For demonstration purposes, different sets of experimental measurements of sulfuric acid solutions are carried out at different temperatures and acid concentrations. They mainly consist of pH, density, conductivity and molality measurements. The improved algorithm is then applied to each of the experimental sets. The most estimable parameters are determined and identified using a branch-and-reduce optimization method and their accuracy is assessed by means of confidence intervals. Finally, the quality of the model is quantified by computing the Pearson product-moment coefficient, its high values show a very good agreement between the predictions and the measurements.
机译:本文涉及用于预测热力学性能和电解质溶液相平衡的Pitzer模型的参数评估性分析和识别。所使用的可估量分析方法基于灵敏度矩阵的正交化,以从最估计到最不估计的最估计的未知参数对未知参数进行排名。虽然获得的结果是有趣的,但算法显示其限制,因为它基于对模型的未知参数的输出的局部灵敏度,并且可以显着影响模型的可靠性。在这项工作中,通过通过全局敏感性分析的方法计算灵敏度来改善算法。为了示范目的,在不同的温度和酸浓度下进行不同的硫酸溶液的实验测量。它们主要由pH,密度,电导率和摩尔态测量组成。然后将改进的算法应用于每个实验集。使用分支和减少优化方法确定和识别最估计的参数,并且通过置信区间评估它们的精度。最后,通过计算Pearson Production Timon系数来量化模型的质量,其高值显示了预测和测量之间的非常好的一致性。

著录项

  • 来源
    《Reliability Engineering & System Safety》 |2021年第3期|107263.1-107263.11|共11页
  • 作者单位

    Mohammed VI Polytech Univ Lot 990 Hay Moulay Rachid Benguerir 43150 Morocco|Univ Lorraine Lab React & Genie Proc CNRS ENSIC 1 Rue Grandville BP20451 F-54001 Nancy France|Univ Hassan 2 Lab Chim Phys Catalyse & Environm Casablanca Morocco;

    Mohammed VI Polytech Univ Lot 990 Hay Moulay Rachid Benguerir 43150 Morocco|Univ Lorraine Lab React & Genie Proc CNRS ENSIC 1 Rue Grandville BP20451 F-54001 Nancy France;

    Mohammed VI Polytech Univ Lot 990 Hay Moulay Rachid Benguerir 43150 Morocco|Sultan Moulay Slimane Univ Natl Sch Appl Sci Khouribga LIPIM Beni Mellal Morocco;

    Mohammed VI Polytech Univ Lot 990 Hay Moulay Rachid Benguerir 43150 Morocco;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Estimability analysis; Global sensitivity analysis; Thermodynamics; Pitzer model; Sulfuric acid solutions;

    机译:可预测性分析;全局敏感性分析;热力学;Pitzer模型;硫酸溶液;

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