环境大气VOCs色谱峰数据处理方法的设计与实现

大气与环境光学学报 ›› 2019, Vol. 14 ›› Issue (4): 272-0278.

环境大气VOCs色谱峰数据处理方法的设计与实现

刘永超^1,2,陆钒¹,刘伟^1,2,胡荣春^1,2

1 中国科学院安徽光学精密机械研究所中国科学院环境光学与技术重点实验室安徽合肥 230031;
2 中国科学技术大学, 安徽合肥 230026

收稿日期:2018-03-29 修回日期:2018-04-11 出版日期:2019-07-28 发布日期:2019-07-12

Design and Realization of VOCs Peak Data Processing Method in Atmospheric Environment

Received:2018-03-29 Revised:2018-04-11 Published:2019-07-28 Online:2019-07-12
Contact: Yong-Chao Liu

摘要/Abstract

摘要： 针对大气挥发性有机化合物(Volatile organic compounds, VOCs)色谱谱图基线漂移严重、
色谱峰峰形复杂的特点,设计了一种色谱数据处理方法。采用移动平均法和小波变换法对高
频噪声和基线漂移进行处理,保证了谱峰解析的准确性。采用一、二阶导数结合法对色谱峰
进行识别,高斯曲线拟合法进行峰面积计算,提高了峰面积计算精度。实验结果表明,该算法
运行速度快,噪声去除和基线校正效果明显,能够准确识别重叠峰、肩峰等不规则峰形,峰面积
计算精度高,满足环境大气VOCs色谱数据处理的要求。

关键词: 挥发性有机物, 基线校正, 小波变换, 谱峰识别, 曲线拟合法

Abstract: A data processing method is designed to deal with the severe baseline drift and complex
peak shape of the volatile organic compounds (VOCs) chromatography. Methods of moving
average and wavelet transform are applied to deal with the high frequency noise and
baseline drift, which ensure the accuracy of peak recognition and area calculation.
The combination of first order and two order derivative method is
used to identify the chromatographic peaks. The Gauss curve fitting method is used
to calculate the peak area, which improves the calculation accuracy of peak area.
The experimental results show that the algorithm is very fast and the effect of the
denoising and baseline correction are obvious. The algorithm can accurately identify
overlapping peaks, acromion peaks and can get high precision of peak area calculation,
which are able to meet the requirements of VOCs data processing in ambient air.

Key words: volatile organic compounds, baseline correction, wavelet transform, peak recognition, curve fitting

刘永超陆钒刘伟胡荣春. 环境大气VOCs色谱峰数据处理方法的设计与实现[J]. 大气与环境光学学报, 2019, 14(4): 272-0278.

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