Real-time monitoring of powder blend composition using near infrared spectroscopy

Niall O' Mahony, Trevor Murphy, Krishna Panduru, D. Riordan, Joseph Walsh
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引用次数: 4

Abstract

Near Infrared Spectroscopy (NIRS) is a very powerful utility in a Process Analytical Technology (PAT) system because it can be used to monitor a multitude of process parameters non-invasively, non-destructively in real time and in hazardous environments. A catch to the versatility of NIRS is the requirement for Multi-Variate Data Analysis (MVDA) to calibrate the measurement of the parameter of interest. This paper presents a NIRS based real time continuous monitoring of powder blend composition which has widespread applications such as the pharmaceutical industry. The proposed system design enables reduction of optical path length so that the sensors can be successfully installed into powder conveyance systems. Sensor signal processing techniques were developed in this work to improve accuracy while minimizing pre-processing steps. The paper presents the implementation of several parameter estimation methodologies applied to sensor data collected using MATLAB® software for a model powder blending process. Several techniques were examined for the development of chemometric models of the multi-sensor data, including Principal Component Analysis (PCA), Partial Least Squares Regression (PLSR), Support Vector Machines (SVM) and Artificial Neural Networks (ANN). The performances of each of the models were compared in terms of accuracy (MSE) in predicting blend composition. The results obtained show that machine learning-based approaches produce process models of similar accuracy and robustness compared to models developed by PLSR while requiring minimal pre-processing and also being more adaptable to new data.
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近红外光谱实时监测粉末混合成分
近红外光谱(NIRS)在过程分析技术(PAT)系统中是一种非常强大的实用工具,因为它可以用于在危险环境中无创、非破坏性地实时监测众多过程参数。近红外光谱多功能性的一个问题是需要多变量数据分析(MVDA)来校准感兴趣参数的测量。本文介绍了一种基于近红外光谱的粉末混合成分实时连续监测方法,该方法在制药工业等领域有着广泛的应用。所提出的系统设计能够减少光路长度,以便传感器可以成功地安装到粉末输送系统中。在这项工作中开发了传感器信号处理技术,以提高精度,同时尽量减少预处理步骤。本文介绍了几种参数估计方法的实现,这些方法应用于使用MATLAB®软件收集的传感器数据,用于模型粉末混合过程。研究了几种用于开发多传感器数据化学计量模型的技术,包括主成分分析(PCA)、偏最小二乘回归(PLSR)、支持向量机(SVM)和人工神经网络(ANN)。在预测混合成分的准确性(MSE)方面,比较了每种模型的性能。结果表明,与PLSR开发的模型相比,基于机器学习的方法产生的过程模型具有相似的精度和鲁棒性,同时需要最少的预处理,并且对新数据的适应性更强。
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