Influence of nanopore density on ethylene/acetylene separation by monolayer graphene
文献类型：期刊论文
| 作者 | Jin, Bo3; Zhang, Xin3 ; Li, Fei3; Zhang, Ning2; Zong, Zewen3; Cao, Shiwei4; Li, Zhan1; Chen, Ximeng3
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| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2019-03-21 |
| 卷号 | 21期号:11页码:6126-6132 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c9cp00682f |
| 通讯作者 | Zhang, Xin() ; Li, Zhan(lizhancg@licp.cas.cn) ; Chen, Ximeng(chenxm@lzu.edu.cn) |
| 英文摘要 | The use of nanoporous graphene for separation has attracted increasing interest over the past few years. Nanopore size, temperature, pressure and functionalization are vital for selectivity, but the influence of nanopore density is not known. Thus, we designed a monolayer nanoporous graphene membrane and revealed the influence of nanopore density on its ethylene/acetylene separation performance by employing molecular dynamics (MD) simulations. Our results indicate that an optimal nanopore density exists for permeation flux and selectivity. The MD simulation results were confirmed by density functional theory (DFT) and the kinetic theory of gases. The interactions between ethylene/acetylene and nanopores were also investigated, and van der Waals (vdW) interactions with slight steric repulsion were detected. |
| WOS关键词 | FUNCTIONALIZED GRAPHENE ; POROUS GRAPHENE ; NONCOVALENT INTERACTIONS ; CO2/N-2 SEPARATION ; WAVE-FUNCTION ; FORCE-FIELD ; MEMBRANES ; GAS ; TRANSPORT ; COMPASS |
| 资助项目 | National Natural Science Foundation of China[11175075] ; National Natural Science Foundation of China[21405165] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000462659300024 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | National Natural Science Foundation of China |
| 源URL | [http://119.78.100.186/handle/113462/134183]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Zhang, Xin; Li, Zhan; Chen, Ximeng |
| 作者单位 | 1.Chinese Acad Sci, Lanzhou Inst Chem Phys, Lanzhou 730000, Gansu, Peoples R China 2.Peking Univ, Sch Phys, Beijing 100871, Peoples R China 3.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China 4.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jin, Bo,Zhang, Xin,Li, Fei,et al. Influence of nanopore density on ethylene/acetylene separation by monolayer graphene[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2019,21(11):6126-6132. |
| APA | Jin, Bo.,Zhang, Xin.,Li, Fei.,Zhang, Ning.,Zong, Zewen.,...&Chen, Ximeng.(2019).Influence of nanopore density on ethylene/acetylene separation by monolayer graphene.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,21(11),6126-6132. |
| MLA | Jin, Bo,et al."Influence of nanopore density on ethylene/acetylene separation by monolayer graphene".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.11(2019):6126-6132. |
入库方式： OAI收割
来源：近代物理研究所
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