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Sorption and Diffusion of Water Vapor and Carbon Dioxide in Sulfonated Polyaniline as Chemical Sensing Materials

A hybrid quantum mechanics (QM)/molecular dynamics (MD) simulation is performed to investigate the effect of an ionizable group (–SO(3)(−)Na(+)) on polyaniline as gas sensing materials. Polymers considered for this work include emeraldine base of polyaniline (EB-PANI) and its derivatives (Na-SPANI (...

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Detalles Bibliográficos
Autores principales:	Liang, Qiuhua, Jiang, Junke, Ye, Huaiyu, Yang, Ning, Cai, Miao, Xiao, Jing, Chen, Xianping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883297/ https://www.ncbi.nlm.nih.gov/pubmed/27128921 http://dx.doi.org/10.3390/s16050606

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