Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective

doi:10.1088/1674-1056/ad18a9

中国物理B ›› 2024, Vol. 33 ›› Issue (4): 46503-046503.doi: 10.1088/1674-1056/ad18a9

Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective

Zongli Sun(孙宗利)^1,3,†, Yanshuang Kang(康艳霜)², and Yanmei Kang(康艳梅)⁴

1 Department of Mathematics and Physics, North China Electric Power University, Baoding 071003, China;
2 College of Science, Hebei Agricultural University, Baoding 071001, China;
3 Hebei Key Laboratory of Physics and Energy Technology, Baoding 071003, China;
4 University of International Relations, Beijing 100091, China

收稿日期:2023-11-07 修回日期:2023-12-08 接受日期:2023-12-26 出版日期:2024-03-19 发布日期:2024-03-27
通讯作者: Zongli Sun E-mail:sunzl@ncepu.edu.cn
基金资助:
Project supported by the Fundamental Research Fund for the Central Universities of China, and the Research Project for Independently Cultivate Talents of Hebei Agricultural University (Grant No. ZY2023007).

Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective

Zongli Sun(孙宗利)^1,3,†, Yanshuang Kang(康艳霜)², and Yanmei Kang(康艳梅)⁴

1 Department of Mathematics and Physics, North China Electric Power University, Baoding 071003, China;
2 College of Science, Hebei Agricultural University, Baoding 071001, China;
3 Hebei Key Laboratory of Physics and Energy Technology, Baoding 071003, China;
4 University of International Relations, Beijing 100091, China

Received:2023-11-07 Revised:2023-12-08 Accepted:2023-12-26 Online:2024-03-19 Published:2024-03-27
Contact: Zongli Sun E-mail:sunzl@ncepu.edu.cn
Supported by:
Project supported by the Fundamental Research Fund for the Central Universities of China, and the Research Project for Independently Cultivate Talents of Hebei Agricultural University (Grant No. ZY2023007).

摘要/Abstract

摘要： Combining the mean field Pozhar—Gubbins (PG) theory and the weighted density approximation, a novel method for local thermal conductivity of inhomogeneous fluids is proposed. The correlation effect that is beyond the mean field treatment is taken into account by the simulation-based empirical correlations. The application of this method to confined argon in slit pore shows that its prediction agrees well with the simulation results, and that it performs better than the original PG theory as well as the local averaged density model (LADM). In its further application to the nano-fluidic films, the influences of fluid parameters and pore parameters on the thermal conductivity are calculated and investigated. It is found that both the local thermal conductivity and the overall thermal conductivity can be significantly modulated by these parameters. Specifically, in the supercritical states, the thermal conductivity of the confined fluid shows positive correlation to the bulk density as well as the temperature. However, when the bulk density is small, the thermal conductivity exhibits a decrease-increase transition as the temperature is increased. This is also the case in which the temperature is low. In fact, the decrease—increase transition in both the small-bulk-density and low-temperature cases arises from the capillary condensation in the pore. Furthermore, smaller pore width and/or stronger adsorption potential can raise the critical temperature for condensation, and then are beneficial to the enhancement of the thermal conductivity. These modulation behaviors of the local thermal conductivity lead immediately to the significant difference of the overall thermal conductivity in different phase regions.

关键词: thermal conductivity, nano-fluidic films, density functional theory

Abstract: Combining the mean field Pozhar—Gubbins (PG) theory and the weighted density approximation, a novel method for local thermal conductivity of inhomogeneous fluids is proposed. The correlation effect that is beyond the mean field treatment is taken into account by the simulation-based empirical correlations. The application of this method to confined argon in slit pore shows that its prediction agrees well with the simulation results, and that it performs better than the original PG theory as well as the local averaged density model (LADM). In its further application to the nano-fluidic films, the influences of fluid parameters and pore parameters on the thermal conductivity are calculated and investigated. It is found that both the local thermal conductivity and the overall thermal conductivity can be significantly modulated by these parameters. Specifically, in the supercritical states, the thermal conductivity of the confined fluid shows positive correlation to the bulk density as well as the temperature. However, when the bulk density is small, the thermal conductivity exhibits a decrease-increase transition as the temperature is increased. This is also the case in which the temperature is low. In fact, the decrease—increase transition in both the small-bulk-density and low-temperature cases arises from the capillary condensation in the pore. Furthermore, smaller pore width and/or stronger adsorption potential can raise the critical temperature for condensation, and then are beneficial to the enhancement of the thermal conductivity. These modulation behaviors of the local thermal conductivity lead immediately to the significant difference of the overall thermal conductivity in different phase regions.

Key words: thermal conductivity, nano-fluidic films, density functional theory

中图分类号: (Thermal properties of liquids)

65.20.-w

66.10.cd (Thermal diffusion and diffusive energy transport) 66.25.+g (Thermal conduction in nonmetallic liquids)

Zongli Sun(孙宗利), Yanshuang Kang(康艳霜), and Yanmei Kang(康艳梅). Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective[J]. 中国物理B, 2024, 33(4): 46503-046503.

Zongli Sun(孙宗利), Yanshuang Kang(康艳霜), and Yanmei Kang(康艳梅). Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective[J]. Chin. Phys. B, 2024, 33(4): 46503-046503.

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Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective

Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective

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