Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol
文献类型：期刊论文
| 作者 | Dong, Shijin; Yan, Juntao; Xu, Nan2; Xu, Jia; Wang, Hongyan1 |
| 刊名 | SURFACE SCIENCE
 |
| 出版日期 | 2011-05-01 |
| 卷号 | 605期号:9-10页码:868-874 |
| 关键词 | Surface modification Molecular dynamics simulation Mesoscopic simulation Carbon black Polyvinyl alcohol |
| ISSN号 | 0039-6028 |
| 通讯作者 | Wang, HY |
| 英文摘要 | A novel and reasonable model of carbon black (CB) was built to investigate the surface encapsulation modification of CB particles with polyvinyl alcohol (PVA) by molecular dynamic simulation. The modification process of PVA on CB surface was intuitively exhibited, which indicated that the encapsulation films were formed by stacking PVA molecules layer by layer on the surface of CB. The dispersion stability of unmodified and modified CB particles was compared both by simulation and by scanning electron microscope graphs. The simulation results indicated that surface modification had great effect on reducing the interaction energy of CB/water interface so as to alleviate agglomeration phenomenon significantly. Moreover, the influences of PVA amount on the morphology and the compatibility of PVA/CB interface were also investigated. The amount of PVA would neither influence the arrangement of single PVA molecule nor change the orientation of the single PVA layer but only decide the thickness of the modification film. Besides, the energy analysis results indicated that a suitable thickness of PVA coating could improve the dispersion stability of CB particles. (C) 2011 Elsevier B.V. All rights reserved. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Condensed Matter |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | POLY(VINYL ALCOHOL) ; NANOPARTICLES FREE ; AQUEOUS-SOLUTION ; COMPATIBILITY ; MEDIA ; POLYMERIZATION ; METHACRYLATE) ; AGGREGATION ; COMPOSITES ; ADSORPTION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000290050600005 |
| 公开日期 | 2013-11-06 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/5044]  |
| 专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
| 作者单位 | 1.Jilin Univ, Dept Chem, Coll Chem, Changchun 130012, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Dong, Shijin,Yan, Juntao,Xu, Nan,et al. Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol[J]. SURFACE SCIENCE,2011,605(9-10):868-874. |
| APA | Dong, Shijin,Yan, Juntao,Xu, Nan,Xu, Jia,&Wang, Hongyan.(2011).Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol.SURFACE SCIENCE,605(9-10),868-874. |
| MLA | Dong, Shijin,et al."Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol".SURFACE SCIENCE 605.9-10(2011):868-874. |
入库方式： OAI收割
来源：过程工程研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。