Performance modelling of zeolite-based potentiometric sensors
Performance modelling of zeolite-based potentiometric sensors
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DOI：
10.1016/j.snb.2021.131343
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发表时间：
2022-01-05
影响因子：
8.4
通讯作者：
Kirsanov, Dmitry
中科院分区：
文献类型：
--
作者：
Jendrlin, Martin;Radu, Aleksandar;Kirsanov, Dmitry
开发简单且具有成本效益的电化学传感器用于广泛的现场应用，在农业、环境监测和食品科学中具有相当大的实际重要性。在多种传感平台中，电位法在简单、低成本和大规模生产方面特别有效。这项工作的重点是一个系统的分析结构与性能的关系，使用化学计量学技术，它可以应用到传感器阵列与不同的响应模式。沸石修饰电极的电位灵敏度，包含13个合成和3个天然沸石，在Na+，K+，NH 4+，Ca 2+和Mg 2+的水溶液中已与一系列沸石特性使用PCA和PLS建模，从而展示了结构和物理性质如何影响沸石修饰的电位传感器的性能。除了空间因素，如沸石孔径，重要的特征控制传感器的性能是硅/铝比和特定的骨架外阳离子的存在。例如，K+和Na+显示出对Ca 2+的电位灵敏度的强烈影响。PLS模型达到的精度水平表明，半定量预测是可行的。为了改进计算模型，需要更大的数据集和更广泛的沸石改性传感器。这种传感器的组成材料应该具有一组定义明确的特性，这些特性可以针对特定应用进行控制和调整。预期合成沸石而不是天然沸石将满足这些要求。
Developing simple and cost-effective electrochemical sensors for widespread on-site application is of considerable practical importance in agriculture, environmental monitoring and food science. Among multiple sensing platforms, potentiometry is particularly effective in terms of simplicity, low cost and mass-production. This work is focused on a systematic analysis of the structure - performance relationship using chemometric techniques, which can be applied to sensor arrays with varying response patterns. The potentiometric sensitivity of zeolitemodified electrodes, containing thirteen synthetic and three natural zeolites, in aqueous solutions of Na+, K+, NH4+, Ca2+ and Mg2+ has been correlated with a range of zeolite characteristics using PCA and PLS modelling, thus demonstrating how structural and physical properties impact the performance of zeolite-modified potentiometric sensors. In addition to steric factors, e.g. zeolite pore size, the important characteristics governing the sensor performance are the Si/Al ratio and the presence of specific extraframework cations. For instance, K+ and Na+ show a strong effect on the potentiometric sensitivity towards Ca2+. The level of precision achieved by the PLS models indicates that semi-quantitative predictions are feasible. To improve the computational models, larger sets of data with a wider range of zeolite-modified sensors are necessary. The constituent materials of such sensors should have a set of well-defined properties, which can be controlled and tuned for a particular application. It is anticipated that synthetic rather than natural zeolites would satisfy such requirements.