十二烷基苯磺酸钠在联苯类分子液晶传感器中传感过程的分子动力学模拟

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英文篇名：Molecular dynamics simulation about the sensing process of sodium dodecyl benzene sulfonate in biphenyl liquid crystal sensors 作者：陈军宪 ; 顾小玉 ; 刘瑶泽 ; 熊慧 ; 金灿庆 英文作者：CHEN Jun-xian;GU Xiao-yu;LIU Yao-ze;XIONG Hui;KIM Chan-kyung;College of Chemistry and Environment Protection Engineering,Southwest Minzu University;Department of Chemistry and Chemical Engineering,Inha University; 关键词：液晶传感器 ; 传感 ; 液晶分子取向 ; 分子动力学模拟 英文关键词：liquid crystal sensor;;sensing;;liquid crystal molecular orientation;;molecular dynamics simulation 中文刊名：HXYJ 英文刊名：Chemical Research and Application 机构：西南民族大学化学与环境保护工程学院;韩国仁荷大学化学化工学院; 出版日期：2019-06-15 出版单位：化学研究与应用 年：2019 期：v.31 基金：西南民族大学大学生国家级创新创业项目(201810656018)资助 语种：中文; 页：HXYJ201906015 页数：6 CN：06 ISSN：51-1378/O6 分类号：94-99

摘要

本文采用分子动力学模拟,通过建立了液晶5CB/真空,液晶5CB/水,表面活性剂SDS/水溶液和液晶5CB/SDS水溶液界面来研究基于竞争包合的液晶传感器中传感分子的工作原理。研究表明,5CB液晶在真空下会自发的变为一维有序的排列,当和水作用时液晶分子5CB取向为趋于与液体表面水平,当与表面包含SDS的溶液相互作用时分子取向为垂直液面。本动力学模拟反映了以SDS作为探针分子的竞争包合类液晶传感器中的传感过程。
        In this paper,molecular dynamics simulation was used to study the working principle of sensing molecules in liquid crystal sensors by establishing interfaces between liquid crystal 5CB/vacuum,liquid crystal 5CB/water,surfactant SDS/aqueous solution and liquid crystal 5CB/SDS aqueous solution.Ithasbeen shown that 5CB liquid crystal will spontaneously change into an orderly one-dimensional arrangement under vacuum.When interacting with water,5CB liquid crystal molecules tend to be horizontal with the liquid surface.When interacting with the surface containing SDS solution,5CB liquid crystal molecules tend to be vertical with the liquid surface.

引文

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