Structure and stability of nitrogen hydrate in a single-walled carbon nanotube under external electric fields

doi:10.1088/1674-1056/accd4a

中国物理B ›› 2023, Vol. 32 ›› Issue (7): 76402-076402.doi: 10.1088/1674-1056/accd4a

Structure and stability of nitrogen hydrate in a single-walled carbon nanotube under external electric fields

Chi Xu(徐驰), Jiaxian Li(厉嘉贤), Min Wei(韦敏), Xiaoyan Zhou(周晓艳)^†, and Hangjun Lu(陆杭军)^‡

Department of Physics, Zhejiang Normal University, Jinhua 321004, China

收稿日期:2023-02-10 修回日期:2023-03-19 接受日期:2023-04-16 出版日期:2023-06-15 发布日期:2023-06-28
通讯作者: Xiaoyan Zhou, Hangjun Lu E-mail:zxylu@zjnu.cn;zjlhun@zjnu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11875237).

Structure and stability of nitrogen hydrate in a single-walled carbon nanotube under external electric fields

Chi Xu(徐驰), Jiaxian Li(厉嘉贤), Min Wei(韦敏), Xiaoyan Zhou(周晓艳)^†, and Hangjun Lu(陆杭军)^‡

Department of Physics, Zhejiang Normal University, Jinhua 321004, China

Received:2023-02-10 Revised:2023-03-19 Accepted:2023-04-16 Online:2023-06-15 Published:2023-06-28
Contact: Xiaoyan Zhou, Hangjun Lu E-mail:zxylu@zjnu.cn;zjlhun@zjnu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11875237).

摘要/Abstract

摘要： The effects of an external electric field on the structure and stability of the nitrogen hydrate confined in a single-walled carbon nanotube (CNT) were studied by using molecular dynamics (MD) simulations. It was found that the structure of the nitrogen hydrate, the occupancy and distribution of the nitrogen molecules inside the nanotube depend sensitively on the direction of the external electric field. A parallel electric field can destabilize the nitrogen hydrate and cause the release of nitrogen molecules from the ice nanotube of the hydrate. While a vertical electric field can redistribute the nitrogen molecules from the core to the shell of the hydrate. The occupancy of the nitrogen molecules of the hydrate follows a sigmoid-like function as the direction of the electric field changes. Our findings may aid in the development of methods to control gas release and encapsulation by using electric fields.

关键词: nitrogen hydrate, ice nanotube, electric field

Abstract: The effects of an external electric field on the structure and stability of the nitrogen hydrate confined in a single-walled carbon nanotube (CNT) were studied by using molecular dynamics (MD) simulations. It was found that the structure of the nitrogen hydrate, the occupancy and distribution of the nitrogen molecules inside the nanotube depend sensitively on the direction of the external electric field. A parallel electric field can destabilize the nitrogen hydrate and cause the release of nitrogen molecules from the ice nanotube of the hydrate. While a vertical electric field can redistribute the nitrogen molecules from the core to the shell of the hydrate. The occupancy of the nitrogen molecules of the hydrate follows a sigmoid-like function as the direction of the electric field changes. Our findings may aid in the development of methods to control gas release and encapsulation by using electric fields.

Key words: nitrogen hydrate, ice nanotube, electric field

中图分类号: (Liquid-vapor transitions)

64.70.F-

68.03.Hj (Liquid surface structure: measurements and simulations) 68.03.-g (Gas-liquid and vacuum-liquid interfaces) 68.18.Jk (Phase transitions in liquid thin films)

Chi Xu(徐驰), Jiaxian Li(厉嘉贤), Min Wei(韦敏), Xiaoyan Zhou(周晓艳), and Hangjun Lu(陆杭军). Structure and stability of nitrogen hydrate in a single-walled carbon nanotube under external electric fields[J]. 中国物理B, 2023, 32(7): 76402-076402.

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Structure and stability of nitrogen hydrate in a single-walled carbon nanotube under external electric fields

Structure and stability of nitrogen hydrate in a single-walled carbon nanotube under external electric fields

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