Kieser Birgit, Dieterle Frank, Gauglitz Günter
Institute of Physical and Theoretical Chemistry, University of Tübingen, Germany.
Anal Chem. 2002 Sep 15;74(18):4781-7. doi: 10.1021/ac0258204.
The sorption of methanol and ethanol vapors by a microporous glassy polycarbonate is studied. The increase of the refractive index of the polymer during analyte sorption is measured by surface plasmon resonance. Both analytes are sorbed into the micropores of the polymer showing different diffusion kinetics. The sensor response during analyte exposure is subdivided into different time channels. By evaluating this additional data dimension by neural networks, a simultaneous multicomponent analysis of binary mixtures of ethanol and methanol vapors is possible using the sensor response of only one single sensor. A feature extraction results in an interpretable model and an improved prediction with errors of 2.0% for methanol and 2.4% for ethanol.
研究了微孔玻璃状聚碳酸酯对甲醇和乙醇蒸汽的吸附作用。通过表面等离子体共振测量分析物吸附过程中聚合物折射率的增加。两种分析物都被吸附到聚合物的微孔中，呈现出不同的扩散动力学。分析物暴露期间的传感器响应被细分为不同的时间通道。通过神经网络评估这个额外的数据维度，仅使用一个传感器的响应就可以对乙醇和甲醇蒸汽的二元混合物进行同步多组分分析。特征提取得到了一个可解释的模型，并实现了改进的预测，甲醇的误差为2.0%，乙醇的误差为2.4%。
