Theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (PPX) films
Bian Liang; Shu YuanJie; Xu JinBao; Wang Lei; Bian, L
2013
发表期刊SCIENCE CHINA-TECHNOLOGICAL SCIENCES
ISSN1674-7321
卷号56期号:1页码:40-47
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.

关键词Crystalline Parylene Gas Molecules Diffusion Sorption
学科领域Engineering ; Materials Science
DOI10.1007/s11431-012-5068-2
收录类别SCI
WOS记录号WOS:000314375300008
引用统计
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/2695
专题新疆维吾尔自治区电子信息材料与器件重点实验室
通讯作者Bian, L
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
推荐引用方式
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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.
APA Bian Liang,Shu YuanJie,Xu JinBao,Wang Lei,&Bian, L.(2013).Theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (PPX) films.SCIENCE CHINA-TECHNOLOGICAL SCIENCES,56(1),40-47.
MLA Bian Liang,et al."Theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (PPX) films".SCIENCE CHINA-TECHNOLOGICAL SCIENCES 56.1(2013):40-47.
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