纳米承压水的相关长度与输运性质。

Shubham Kumar, B. Bagchi
{"title":"纳米承压水的相关长度与输运性质。","authors":"Shubham Kumar, B. Bagchi","doi":"10.1063/5.0090811","DOIUrl":null,"url":null,"abstract":"We report the existence of disparate static and dynamic correlation lengths that could describe the influence of confinement on nanoconfined water (NCW). Various aspects of viscous properties, such as anisotropy and viscoelasticity, of NCW are studied by varying the separation distance \"d\" between two confining hydrophobic plates. The transverse component of the mean square stress exhibits slow spatial decay (measured from the surface) beyond ∼1.8 nm, which was not reported before. The static correlation length obtained from fitting the exponential decay of the transverse mean-square stress with d is 0.75 nm, while the decay time of the stress-stress time correlation function gives a dynamic correlation length of only 0.35 nm. The shortness of the dynamic correlation length seems to arise from the low sensitivity of orientational relaxation to confinement. In the frequency-dependent viscosity, we observe a new peak at about 50 cm-1 that is not present in the bulk. This new peak is prominent even at 3 nm separations. The peak is absent in the bulk, although it is close to the intermolecular -O-O-O- bending mode well known in liquid water. We further explore the relationship between diffusion and viscosity in NCW by varying d.","PeriodicalId":446961,"journal":{"name":"The Journal of chemical physics","volume":"11 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Correlation lengths in nanoconfined water and transport properties.\",\"authors\":\"Shubham Kumar, B. Bagchi\",\"doi\":\"10.1063/5.0090811\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We report the existence of disparate static and dynamic correlation lengths that could describe the influence of confinement on nanoconfined water (NCW). Various aspects of viscous properties, such as anisotropy and viscoelasticity, of NCW are studied by varying the separation distance \\\"d\\\" between two confining hydrophobic plates. The transverse component of the mean square stress exhibits slow spatial decay (measured from the surface) beyond ∼1.8 nm, which was not reported before. The static correlation length obtained from fitting the exponential decay of the transverse mean-square stress with d is 0.75 nm, while the decay time of the stress-stress time correlation function gives a dynamic correlation length of only 0.35 nm. The shortness of the dynamic correlation length seems to arise from the low sensitivity of orientational relaxation to confinement. In the frequency-dependent viscosity, we observe a new peak at about 50 cm-1 that is not present in the bulk. This new peak is prominent even at 3 nm separations. The peak is absent in the bulk, although it is close to the intermolecular -O-O-O- bending mode well known in liquid water. We further explore the relationship between diffusion and viscosity in NCW by varying d.\",\"PeriodicalId\":446961,\"journal\":{\"name\":\"The Journal of chemical physics\",\"volume\":\"11 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-05-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Journal of chemical physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1063/5.0090811\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of chemical physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1063/5.0090811","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1

摘要

我们报告了不同的静态和动态相关长度的存在,可以描述约束对纳米密闭水(NCW)的影响。通过改变两个围合疏水板之间的分离距离d,研究了NCW的各向异性和粘弹性等粘性特性。均方应力的横向分量在1.8 nm以上表现出缓慢的空间衰减(从表面测量),这在以前没有报道过。横向均方应力随d的指数衰减拟合得到的静态相关长度为0.75 nm,而应力-应力时间相关函数的衰减时间仅为0.35 nm。动态相关长度的短似乎是由于取向弛豫对约束的敏感性较低。在与频率相关的粘度中,我们观察到在大约50 cm-1处有一个新的峰值,而这个峰值在总体中是不存在的。这个新峰即使在3nm处也很突出。虽然它接近于液态水中众所周知的分子间- o - o - o - o -弯曲模式,但在整体中没有峰。我们通过变化d进一步探讨了NCW中扩散与粘度之间的关系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Correlation lengths in nanoconfined water and transport properties.
We report the existence of disparate static and dynamic correlation lengths that could describe the influence of confinement on nanoconfined water (NCW). Various aspects of viscous properties, such as anisotropy and viscoelasticity, of NCW are studied by varying the separation distance "d" between two confining hydrophobic plates. The transverse component of the mean square stress exhibits slow spatial decay (measured from the surface) beyond ∼1.8 nm, which was not reported before. The static correlation length obtained from fitting the exponential decay of the transverse mean-square stress with d is 0.75 nm, while the decay time of the stress-stress time correlation function gives a dynamic correlation length of only 0.35 nm. The shortness of the dynamic correlation length seems to arise from the low sensitivity of orientational relaxation to confinement. In the frequency-dependent viscosity, we observe a new peak at about 50 cm-1 that is not present in the bulk. This new peak is prominent even at 3 nm separations. The peak is absent in the bulk, although it is close to the intermolecular -O-O-O- bending mode well known in liquid water. We further explore the relationship between diffusion and viscosity in NCW by varying d.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信