TY - JOUR

T1 - Performance modelling of zeolite-based potentiometric sensors

AU - Jendrlin, Martin

AU - Radu, Aleksandar

AU - Zholobenko, Vladimir

AU - Kirsanov, Dmitry

N1 - Publisher Copyright: © 2022 Elsevier B.V.

PY - 2022/4/1

Y1 - 2022/4/1

N2 - 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 zeolite-modified 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.

AB - 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 zeolite-modified 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.

KW - Environmental monitoring

KW - PCA and PLS modelling

KW - Potentiometric sensors

KW - Zeolites

UR - http://www.scopus.com/inward/record.url?scp=85123184273&partnerID=8YFLogxK

U2 - 10.1016/j.snb.2021.131343

DO - 10.1016/j.snb.2021.131343

M3 - Article

AN - SCOPUS:85123184273

VL - 356

JO - Sensors and Actuators, B: Chemical

JF - Sensors and Actuators, B: Chemical

SN - 0925-4005

M1 - 131343

ER -