聚苯胺/壳聚糖/羊毛复合织物导电性能及苯胺吸附分子模拟

Conductivity of polyaniline/chitosan/wool composite fabrics and molecular simulation for aniline adsorption

为提高聚苯胺/羊毛复合织物的导电性能,采用原位聚合法利用醋酸和盐酸共掺杂一步合成聚苯胺/壳聚糖(PANI/CTS)/羊毛复合导电织物。借助场发射扫描电镜、X射线光电子能谱仪和四探针测试仪对复合织物的结构和导电性能进行分析,研究了CTS用量对复合织物导电性能的影响。采用分子模拟方法模拟苯胺吸附的微观运动,进一步研究了CTS增强PANI/羊毛复合织物导电性能的微观机制。结果表明:当CTS用量为2.05%(o.w.f)时,PANI/CTS/羊毛复合导电织物的电导率达到11.32 S/cm;羊毛角蛋白分子表面非均匀电场分布导致苯胺非均匀吸附,而CTS氨基质子化有助于弱电场区域的苯胺吸附,使得苯胺整体吸附量更多,均匀度更好,聚合形成更加均匀、致密的PANI层,提高了复合织物的导电性能。

In order to improve the conductivity of polyaniline/wool composite conductive fabric,polyaniline(PANI)was deposited on the surface of wool fabric in one step by in-situ polymerization using carboxylic acid and hydrochloric acid as doping acid.The influence of CTS dosage on the structure and electrical conductivity of composite fabrics was investigated by field emission scanning electron microscopy,X-ray photoelectron spectroscopy and four probes.The micro motion process of aniline adsorption was simulated by molecular simulation,and the micro mechanism of CTS enhancing the conductivity of PANI/wool composite fabric was further studied.The results indicate that the conductivity of PANI/CTS/wool composite conductive fabric reaches 11.32 S/cm with addition of 2.05%(o.w.f)of CTS.Non-uniform electric field distribution on the surface of keratin molecules leads to non-uniform adsorption of aniline,while the amino protonation of CTS contributes to aniline adsorption in the weak current field,leading to more overall adsorption of aniline,better uniformity,and more uniform and dense PANI layer by polymerization,which improves the conductivity of the composite fabrics.