Khor, Shu-Hui and Tan, Rachel Sze-Huey and Kerk, Chiu-Yiat and Lee, Michelle Li-Yen and Phang, Sook-Wai and Lee, Vannajan Sanghiran (2024) Sensor performance and computational study of polyaniline film in ethylenediamine detection. Polymer Engineering and Science, 64 (1). pp. 296-306. ISSN 1548-2634, DOI https://doi.org/10.1002/pen.26547.
Full text not available from this repository.Abstract
The incorporation of computational chemistry toward the assessment of polyaniline (PAni) performance as ethylenediamine (EDA) sensor is first explored in this study. Through chemical oxidative polymerization, PAni is synthesized at different temperatures and applied as chemical sensor for EDA detection. PAni(0 degrees C) exhibits higher electrical conductivity (1.486 x 10(-2)S/cm) and better sensitivity (0.0529) with R-2 of 0.8419 compared to PAni(25 degrees C). The presence of branches in PAni(25 degrees C) hinders EDA from approaching the reactive sites of PAni and hence resulted in low sensitivity of 0.0022. Besides, 0.5 ppm limit of detection was obtained by using 3 layers of PAni(0 degrees C). PAni(0 degrees C) showed good recyclability of up to 10 cycles with 7 s short response time and 5 s fast recovery time. Meanwhile, good recoveries of 110% and 95% were obtained for real sample analysis for PAni(0 degrees C). The high electrical conductivity of PAni(0 degrees C) is supported by its low band gap energy of -0.2803 eV that was obtained by computational data. Based on the computational data, PAni(0 degrees C) possesses the highest sensitivity in EDA detection with the short response time of 7 s which shows good agreement with the high interaction energy of 294 kcal/mol. Thus, a simple and effective EDA sensor is successfully developed.
| Item Type: | Article |
|---|---|
| Funders: | Tunku Abdul Rahman University of Management and Technology |
| Uncontrolled Keywords: | Chemical sensor; Computational; Ethylenediamine; Polyaniline |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Department of Chemistry |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 01 Jul 2024 06:18 |
| Last Modified: | 02 Jul 2024 08:41 |
| URI: | http://eprints.um.edu.my/id/eprint/44293 |
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