{"title":"应用电场有效控制纳米水中的热传递:分子动力学研究。","authors":"Bing-Bing Wang, Wen-Qing Guo, Jie-Wen Deng","doi":"10.1021/acs.jpcb.5c00928","DOIUrl":null,"url":null,"abstract":"<p><p>Thermal properties of water confined at the nanoscale exhibit variations compared with bulk water. The dynamics of water molecules is altered when an electric field is applied, which influences the thermal transport in nanoconfined water. To explore this phenomenon, we conducted molecular dynamics simulations to investigate the thermal transport of confined water in nanochannels under a uniform electric field. The findings indicate that the thermal conductivity of nanoconfined water decreases when the electric field strength is below 4 V nm<sup>-1</sup> in the direction parallel to the solid-liquid interface of the nanochannel or below 9 V nm<sup>-1</sup> in the direction perpendicular to the solid-liquid interface. This decrease can be attributed to the limited thermal diffusion of water molecules caused by the electric force. On the contrary, when the electric field strength surpasses 4 V nm<sup>-1</sup> or 9 V nm<sup>-1</sup>, the thermal conductivity of nanoconfined water experiences a substantial increase due to the freezing of water molecules induced by the strong electric field. The interfacial thermal resistance decreases on the heat source side, while it increases with increasing electric field strength on the cold source side. Furthermore, applying an electric field parallel to the nanochannel facilitates the electro-freezing of water molecules more effectively, resulting in a greater enhancement of thermal transport in nanoconfined water.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":"5550-5560"},"PeriodicalIF":2.9000,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effective Control of Thermal Transfer in Nanoconfined Water by Applying an Electric Field: A Molecular Dynamics Study.\",\"authors\":\"Bing-Bing Wang, Wen-Qing Guo, Jie-Wen Deng\",\"doi\":\"10.1021/acs.jpcb.5c00928\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Thermal properties of water confined at the nanoscale exhibit variations compared with bulk water. The dynamics of water molecules is altered when an electric field is applied, which influences the thermal transport in nanoconfined water. To explore this phenomenon, we conducted molecular dynamics simulations to investigate the thermal transport of confined water in nanochannels under a uniform electric field. The findings indicate that the thermal conductivity of nanoconfined water decreases when the electric field strength is below 4 V nm<sup>-1</sup> in the direction parallel to the solid-liquid interface of the nanochannel or below 9 V nm<sup>-1</sup> in the direction perpendicular to the solid-liquid interface. This decrease can be attributed to the limited thermal diffusion of water molecules caused by the electric force. On the contrary, when the electric field strength surpasses 4 V nm<sup>-1</sup> or 9 V nm<sup>-1</sup>, the thermal conductivity of nanoconfined water experiences a substantial increase due to the freezing of water molecules induced by the strong electric field. The interfacial thermal resistance decreases on the heat source side, while it increases with increasing electric field strength on the cold source side. Furthermore, applying an electric field parallel to the nanochannel facilitates the electro-freezing of water molecules more effectively, resulting in a greater enhancement of thermal transport in nanoconfined water.</p>\",\"PeriodicalId\":60,\"journal\":{\"name\":\"The Journal of Physical Chemistry B\",\"volume\":\" \",\"pages\":\"5550-5560\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-06-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Journal of Physical Chemistry B\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.jpcb.5c00928\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/5/27 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry B","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpcb.5c00928","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/5/27 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
与散装水相比,纳米尺度水的热性能表现出变化。施加电场会改变水分子的动力学,从而影响纳米密闭水中的热输运。为了探索这一现象,我们进行了分子动力学模拟,研究了均匀电场下纳米通道中承压水的热输运。结果表明:当电场强度在平行于纳米通道固液界面方向上小于4 V nm-1或垂直于固液界面方向上小于9 V nm-1时,纳米封闭水的导热系数降低;这种减少可归因于电磁力引起的水分子的有限热扩散。相反,当电场强度超过4 V nm-1或9 V nm-1时,由于强电场导致水分子冻结,纳米密闭水的导热系数大幅增加。热源侧界面热阻减小,冷源侧界面热阻随着电场强度的增大而增大。此外,施加平行于纳米通道的电场可以更有效地促进水分子的电冻结,从而大大增强纳米密闭水中的热传输。
Effective Control of Thermal Transfer in Nanoconfined Water by Applying an Electric Field: A Molecular Dynamics Study.
Thermal properties of water confined at the nanoscale exhibit variations compared with bulk water. The dynamics of water molecules is altered when an electric field is applied, which influences the thermal transport in nanoconfined water. To explore this phenomenon, we conducted molecular dynamics simulations to investigate the thermal transport of confined water in nanochannels under a uniform electric field. The findings indicate that the thermal conductivity of nanoconfined water decreases when the electric field strength is below 4 V nm-1 in the direction parallel to the solid-liquid interface of the nanochannel or below 9 V nm-1 in the direction perpendicular to the solid-liquid interface. This decrease can be attributed to the limited thermal diffusion of water molecules caused by the electric force. On the contrary, when the electric field strength surpasses 4 V nm-1 or 9 V nm-1, the thermal conductivity of nanoconfined water experiences a substantial increase due to the freezing of water molecules induced by the strong electric field. The interfacial thermal resistance decreases on the heat source side, while it increases with increasing electric field strength on the cold source side. Furthermore, applying an electric field parallel to the nanochannel facilitates the electro-freezing of water molecules more effectively, resulting in a greater enhancement of thermal transport in nanoconfined water.
期刊介绍:
An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.