Response Surface Optimization for Determination of Volatile Organic Compounds in Water Samples by Headspace-Gas Chromatography-Mass Spectrometry Method
Response Surface Optimization for Determination of Volatile Organic Compounds in Water Samples by Headspace-Gas Chromatography-Mass Spectrometry Method
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DOI：
10.1093/chromsci/47.4.257
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发表时间：
2009-04-01
影响因子：
1.3
通讯作者：
Ben Hassine, Bechir
中科院分区：
文献类型：
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作者：
Missaoui, Ines;Sayedi, Lotfi;Ben Hassine, Bechir
研究了顶空-气相色谱-质谱联用（HS-GC-MS）测定水中苯、甲苯、对二甲苯、四氯乙烯、氯苯和二溴甲烷的方法。采用实验设计和响应面分析法，提出了6种挥发性有机物（VOCs）分析的优化策略。采用中心组合设计对恒温时间、温度和盐量进行了优化，并建立了峰面积与3个因素的二次回归模型。数学模型在多个模拟数据集上进行了测试，其系数R2> 0.98。将因子效应可视化为三维响应面和等高线图。在90°C和6 g NaCl下，在36.8 min内达到最佳条件。该方法在所研究的参数空间内，实验数据与预测值吻合较好，适用于HS-GC-MS法对水中挥发性有机物的优化研究。
The determination of benzene, toluene, p-xylene, tetrachloroethene, chlorobenzene, and dibromomethane in water by headspace analysis combined with gas chromatography—mass spectrometry (HS-GC—MS) has been investigated. An optimization strategy for the analysis of the six volatile organic compounds (VOCs) is presented with the experimental design and response surface methodology aid. Thermostatting time, temperature, and salt quantity were optimized by using a central composite design, and quadratic models relating peak areas to the three factors were built. The mathematical models were tested on a number of simulated data set and had a coefficient ofR2> 0.98. The factor effects were visualized as three-dimensional response surfaces and contour plots. The optimal conditions were achieved in 36.8 min, at 90°C, and with 6 g of NaCl. The method showed a good agreement between the experimental data and predictive values throughout the studied parameter space, and was suitable for optimization studies of the VOCs in water by the HS-GC—MS method.