Impact of the functional group on the working range of polyaniline as carbon dioxide sensors

被引：49

作者：

Chen, Xianping ^{[1
,2
]}

Wong, Cell K. Y. ^{[1
]}

Yuan, Cadmus A. ^{[3
,4
]}

Zhang, Guoqi ^{[1
,3
,5
]}

机构：

[1] Delft Univ Technol, Dept Precis & Microsyst Engn, NL-2628 CD Delft, Netherlands

[2] Guilin Univ Elect Technol, Fac Mech & Elect Engn, Guilin 541004, Peoples R China

[3] Delft Univ Technol, Delft Inst Microsyst & Nanoelect DIMES, NL-2628 CT Delft, Netherlands

[4] TNO IenT, NL-5612 AP Eindhoven, Netherlands

[5] Philips Lighting, NL-5611 BD Eindhoven, Netherlands

来源：

SENSORS AND ACTUATORS B-CHEMICAL | 2012年 / 175卷

关键词：

Molecular modeling; Conducting polymers; Polyaniline; Carbon dioxide sensors; Working range; PHYSICAL-PROPERTIES; EMERALDINE FORM; CO2; SENSOR; FORCEFIELDS;

D O I：

10.1016/j.snb.2011.11.054

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

We present a molecular modeling methodology to investigate the effect of functior al group on the working range of polyaniline sensors for carbon dioxide (CO2) in agriculture industry. Doping plays the key role in the sensing mechanism of conducting polymer sensors. The adsorption of CO2 and water, which governs the production of protons and polymer solubility in water, is important for doping and thus a key property for gas sensing. The molecular model, which is capable of studying the interaction among the functionalized polyaniline, CO2 gas and water solvent, is employed to study the adsorption. The loading number of adsorbates in the polymer systems at the fixed temperature and pressure is calculated. Combined with previously reported experimental data, the predicted working range of the NaSPANI is [10(2),10(4)]ppm. It indicates that NaSPANI can be used for agricultural CO2 detection. This method is a useful design tool for evaluating novel sensing materials. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：15 / 21

页数：7

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