Estimation of quality variables in a continuous train of reactors using recurrent neural networks-based soft sensors

IF 3.7 2区 化学 Q2 AUTOMATION & CONTROL SYSTEMS Chemometrics and Intelligent Laboratory Systems Pub Date : 2024-08-14 DOI:10.1016/j.chemolab.2024.105204
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Abstract

The first stage in the industrial production of Styrene-Butadiene Rubber (SBR) typically consists in obtaining a latex from a train of continuous stirred tank reactors. Accurate real-time estimation of some key process variables is of paramount importance to ensure the production of high-quality rubber. Monitoring the mass conversion of monomers in the last reactor of the train is particularly important. To this effect, various soft sensors (SS) have been proposed, however they have not addressed the underlying complex dynamic relationships existing among the process variables. In this work, a SS based on recurrent neural networks (RNN) is developed to estimate the mass conversion in the last reactor of the train. The main challenge is to obtain an adequate estimate of the conversion both in its usual steady-state operation and during its frequent transient operating phases. Three architectures of RNN: Elman, GRU (Gated Recurrent Unit), and LSTM (Long Short-Term Memory) are compared to critically evaluate their performances. Moreover, a comprehensive analysis is conducted to assess the ability of these models to represent different operational modes of the train. The results reveal that the GRU network exhibits the best performance for estimating the mass conversion of monomers. Then, the performance of the proposed model is compared with a previously-developed SS, which was based on a linear estimation model with a Bayesian bias adaptation mechanism and the use of Control Charts for decision-making. The model proposed here proved to be more efficient for estimating the mass conversion of monomers, particularly during transient operating phases. Finally, to evaluate the methodology utilized for designing the SS, the same RNN architectures were trained to online estimate another quality variable: the mass fraction of Styrene bound to the copolymer. The obtained results were also acceptable.

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利用基于递归神经网络的软传感器估算连续电抗器列车中的质量变量
丁苯橡胶(SBR)工业生产的第一阶段通常是从一列连续搅拌罐反应器中获得胶乳。要确保生产出高质量的橡胶,对一些关键工艺变量进行准确的实时估算至关重要。监测反应器组最后一个反应器中单体的质量转化率尤为重要。为此,人们提出了各种软传感器(SS),但它们并没有解决工艺变量之间存在的潜在复杂动态关系。在这项工作中,开发了一种基于递归神经网络(RNN)的软传感器,用于估算列车最后一个反应器的质量转换。主要的挑战是如何在通常的稳态运行和频繁的瞬态运行阶段都能对转换率进行充分估计。RNN 有三种结构:Elman、GRU(门控递归单元)和 LSTM(长短期记忆)三种 RNN 结构进行了比较,以严格评估其性能。此外,还进行了综合分析,以评估这些模型代表列车不同运行模式的能力。结果表明,GRU 网络在估计单体的质量转换方面表现最佳。然后,将所提出模型的性能与之前开发的 SS 进行了比较,后者是基于线性估计模型和贝叶斯偏差适应机制,并使用控制图进行决策。事实证明,这里提出的模型在估算单体的质量转换方面更为有效,尤其是在瞬态运行阶段。最后,为了评估设计 SS 所采用的方法,对相同的 RNN 架构进行了训练,以在线估算另一个质量变量:苯乙烯与共聚物结合的质量分数。得到的结果也是可以接受的。
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来源期刊
CiteScore
7.50
自引率
7.70%
发文量
169
审稿时长
3.4 months
期刊介绍: Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines. Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data. The journal deals with the following topics: 1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.) 2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered. 3) Development of new software that provides novel tools or truly advances the use of chemometrical methods. 4) Well characterized data sets to test performance for the new methods and software. The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.
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