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学科主题: Engineering ; Materials Science
题名: Theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (PPX) films
作者: Bian Liang; Shu YuanJie; Xu JinBao; Wang Lei
通讯作者: Bian, L
关键词: crystalline parylene ; gas molecules ; diffusion ; sorption
刊名: SCIENCE CHINA-TECHNOLOGICAL SCIENCES
发表日期: 2013
DOI: 10.1007/s11431-012-5068-2
卷: 56, 期:1, 页:40-47
收录类别: SCI
资助者: National Natural Science foundation of China 11011120241, 11076002; One Hundred Talents Project Foundation Program; Western Light Joint Scholar Foundation Program of Chinese Academy of Sciences Y12S311301; Western Light Joint Scholar Foundation Program of Chinese Academy of Sciences; China Academy of Engineering Physics "Double Hundred Talents Project" 2008Rc01
摘要: Molecular mechanics (MM) and the gradually reduced size (GRS) techniques were used to construct the crystalline poly-p-xylylene (PPX) films, including PPX N, PPX C and PPX D. The corresponding chain-end area of crystalline PPX films provides enough free volumes for adsorbing and transferring gas molecules. Then, the permeable properties of gases were calculated using Grand Canonical Monte Carlo (GCMC), NVT-Molecular Dynamics (MD) and cluster analysis methods. The calculated diffusion coefficients are in the same order of magnitude over a range of temperatures and pressures. And there is no permeation property of gases in the inner part of the crystalline PPX films.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/2695
Appears in Collections:新疆维吾尔自治区电子信息材料与器件重点实验室_期刊论文

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作者单位: Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;China Acad Engn Phys, China Inst Chem Mat, Mianyang 621900, Peoples R China

Recommended Citation:
Bian Liang,Shu YuanJie,Xu JinBao,et al. Theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (PPX) films[J]. SCIENCE CHINA-TECHNOLOGICAL SCIENCES,2013,56(1):40-47.
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文件名: theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (ppx) films.pdf
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