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
Source PublicationSCIENCE CHINA-TECHNOLOGICAL SCIENCES
ISSN1674-7321
Volume56Issue:1Pages:40-47
Abstract

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.

KeywordCrystalline Parylene Gas Molecules Diffusion Sorption
Subject AreaEngineering ; Materials Science
DOI10.1007/s11431-012-5068-2
Indexed BySCI
WOS IDWOS:000314375300008
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/2695
Collection新疆维吾尔自治区电子信息材料与器件重点实验室
Corresponding AuthorBian, L
AffiliationChinese 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
GB/T 7714
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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