Theoretical calculation on permeation of gas molecules through crystalline poly (p-xylylene) (PPX) films
文献类型：期刊论文
| 作者 | Bian Liang; Shu YuanJie; Xu JinBao; Wang Lei
|
| 刊名 | SCIENCE CHINA-TECHNOLOGICAL SCIENCES
 |
| 出版日期 | 2013 |
| 卷号 | 56期号:1页码:40-47 |
| 关键词 | crystalline parylene gas molecules diffusion sorption |
| ISSN号 | 1674-7321 |
| 通讯作者 | Bian, L |
| 中文摘要 | 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. |
| 学科主题 | Engineering ; Materials Science |
| 收录类别 | SCI |
| 资助信息 | 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 |
| 公开日期 | 2013-11-07 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/2695]  |
| 专题 | 新疆理化技术研究所_新疆维吾尔自治区电子信息材料与器件重点实验室 |
| 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 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.(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. |
入库方式： OAI收割
来源：新疆理化技术研究所
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