From optical architectures to actual deployment a review of online process spectroscopy in industrial environments.

IF 5.3 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Frontiers in Chemistry Pub Date : 2026-09-04 eCollection Date: 2026-01-01 DOI:10.3389/fchem.2026.1914581
Huanqing Zhuo, Bo Zeng, Yinghao Ning, Luomeng Zhang, Congcong Tian, Qianyuan Yu, Qian Miao
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引用次数: 0

Abstract

Real-time quantitative analysis of complex matrices (e.g., moisture and multiple components) is a critical bottleneck in modern Process Analytical Chemistry (PAC). While online near- and mid-infrared spectroscopy are widely deployed, achieving high-fidelity measurements in dynamic industrial environments remains highly challenging. Severe matrix effects coupled with industrial multi-stress interferences, including continuous detector window pollution and light source drive voltage fluctuations, often cause significant baseline drift and non-linear spectral distortion, challenging both physical optical limits and traditional linear calibration models. To address these challenges, this review systematically evaluates the optical architectures and analytical boundaries of four mainstream online infrared spectrometers: filter-based, grating dispersion, Fourier Transform Infrared (FTIR), and Acousto-Optic Tunable Filters (AOTF). Crucially, we comprehensively review the evolution of chemometric compensation strategies designed to overcome these complex spectral interferences. By comparing traditional multivariate linear models, such as Partial Least Squares (PLS), with cutting-edge deep learning frameworks, notably 1D Convolutional Neural Networks (1D-CNN), we discuss the potential of AI-driven soft-calibration for robust feature extraction and precise quantitative prediction under extreme operational stresses. We emphasize that the advantages of such approaches are contingent upon data availability, the degree of spectral nonlinearity, and the specific process environment; they are not a universal replacement for conventional models, which remain effective under stable and linear conditions. Furthermore, the synergistic evolution of miniaturized solid-state hardware is discussed. Ultimately, this review provides a robust theoretical framework for selecting analytical instruments and developing advanced, data-driven chemometric methodologies in dynamic environments, while acknowledging the practical constraints and trade-offs involved in real-world deployment.

从光学架构到实际部署,回顾了工业环境中的在线过程光谱。
复杂矩阵(如水分和多组分)的实时定量分析是现代过程分析化学(PAC)的关键瓶颈。虽然在线近红外和中红外光谱被广泛应用,但在动态工业环境中实现高保真度测量仍然具有很大的挑战性。严重的矩阵效应加上工业多应力干扰,包括连续的探测器窗口污染和光源驱动电压波动,通常会导致显著的基线漂移和非线性光谱畸变,挑战物理光学极限和传统的线性校准模型。为了解决这些挑战,本文系统地评估了四种主流在线红外光谱仪的光学结构和分析边界:基于滤波器,光栅色散,傅里叶变换红外(FTIR)和声光可调滤波器(AOTF)。至关重要的是,我们全面回顾了化学计量补偿策略的发展,旨在克服这些复杂的光谱干扰。通过比较传统的多元线性模型,如偏最小二乘法(PLS)与尖端的深度学习框架,特别是一维卷积神经网络(1D- cnn),我们讨论了人工智能驱动的软校准在极端操作应力下进行鲁棒特征提取和精确定量预测的潜力。我们强调,这些方法的优势取决于数据的可用性、光谱非线性的程度和具体的过程环境;它们不是传统模型的普遍替代品,传统模型在稳定和线性条件下仍然有效。此外,还讨论了小型化固态硬件的协同演化。最后,这篇综述为在动态环境中选择分析仪器和开发先进的、数据驱动的化学计量学方法提供了一个强大的理论框架,同时承认了实际部署中涉及的实际限制和权衡。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Frontiers in Chemistry
Frontiers in Chemistry Chemistry-General Chemistry
CiteScore
8.50
自引率
3.60%
发文量
1540
审稿时长
12 weeks
期刊介绍: Frontiers in Chemistry is a high visiblity and quality journal, publishing rigorously peer-reviewed research across the chemical sciences. Field Chief Editor Steve Suib at the University of Connecticut is supported by an outstanding Editorial Board of international researchers. This multidisciplinary open-access journal is at the forefront of disseminating and communicating scientific knowledge and impactful discoveries to academics, industry leaders and the public worldwide. Chemistry is a branch of science that is linked to all other main fields of research. The omnipresence of Chemistry is apparent in our everyday lives from the electronic devices that we all use to communicate, to foods we eat, to our health and well-being, to the different forms of energy that we use. While there are many subtopics and specialties of Chemistry, the fundamental link in all these areas is how atoms, ions, and molecules come together and come apart in what some have come to call the “dance of life”. All specialty sections of Frontiers in Chemistry are open-access with the goal of publishing outstanding research publications, review articles, commentaries, and ideas about various aspects of Chemistry. The past forms of publication often have specific subdisciplines, most commonly of analytical, inorganic, organic and physical chemistries, but these days those lines and boxes are quite blurry and the silos of those disciplines appear to be eroding. Chemistry is important to both fundamental and applied areas of research and manufacturing, and indeed the outlines of academic versus industrial research are also often artificial. Collaborative research across all specialty areas of Chemistry is highly encouraged and supported as we move forward. These are exciting times and the field of Chemistry is an important and significant contributor to our collective knowledge.
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