Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction

doi:10.1007/s10483-022-2840-7

Applied Mathematics and Mechanics (English Edition) ›› 2022, Vol. 43 ›› Issue (4): 497-506.doi: https://doi.org/10.1007/s10483-022-2840-7

Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction

Jie LI¹, Kaixuan ZHANG², Chensen LIN¹, Lanlan XIAO³, Yang LIU⁴, Shuo CHEN¹

1. School of Aerospace Engineering and Applied Mechanics, Tongji University, Shanghai 200092, China;
2. Institute of Biomechanics and Medical Engineering, AML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China;
3. School of Mechanical and Automotive Engineering, Shanghai University of Engineering Science, Shanghai 201620, China;
4. Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, China

收稿日期:2021-12-10 修回日期:2022-02-23 发布日期:2022-03-29
通讯作者: Kaixuan ZHANG, E-mails:zhangkaixuan@mail.tsinghua.edu.cn;Shuo CHEN, E-mails:schen_tju@mail.tongji.edu.cn
基金资助:
the National Natural Science Foundation of China (Nos. 11872283, 12002242, 11902188, and 12102218), the Shanghai Science and Technology Talent Program (No.19YF1417400), and the China Postdoctoral Science Foundation (No.2020M680525)

Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction

Jie LI¹, Kaixuan ZHANG², Chensen LIN¹, Lanlan XIAO³, Yang LIU⁴, Shuo CHEN¹

1. School of Aerospace Engineering and Applied Mechanics, Tongji University, Shanghai 200092, China;
2. Institute of Biomechanics and Medical Engineering, AML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China;
3. School of Mechanical and Automotive Engineering, Shanghai University of Engineering Science, Shanghai 201620, China;
4. Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, China

Received:2021-12-10 Revised:2022-02-23 Published:2022-03-29
Contact: Kaixuan ZHANG, E-mails:zhangkaixuan@mail.tsinghua.edu.cn;Shuo CHEN, E-mails:schen_tju@mail.tongji.edu.cn
Supported by:
the National Natural Science Foundation of China (Nos. 11872283, 12002242, 11902188, and 12102218), the Shanghai Science and Technology Talent Program (No.19YF1417400), and the China Postdoctoral Science Foundation (No.2020M680525)

摘要/Abstract

摘要： Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades. At mesoscopic scale, numerical simulations of liquid droplets motion, such as impacting, sliding, and coalescence, have been widely studied by using the particle-based method named many-body dissipative particle dynamics (MDPD). However, the detailed information on heat transfer needs further description. This paper develops a modified MDPD with energy conservation (MDPDE) by introducing a temperature-dependent long-term attractive interaction. By fitting or deriving the expressions of the strength of the attractive force, the exponent of the weight function in the dissipative force, and the mesoscopic heat friction coe–cient about temperature, we calculate the viscosity, self-diffusivity, thermal conductivity, and surface tension, and obtain the Schmidt number Sc, the Prandtl number Pr, and the Ohnesorge number Oh for 273 K to 373 K. The simulation data of MDPDE coincide well with the experimental data of water, indicating that our model can be used to simulate the dynamic behaviors of liquid water. Furthermore, we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations. The coincident results not only stand for the validation of Young’s equation at mesoscale, but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces. Our model can be extended to study the multiphase flow with complex heat and mass transfer.

关键词: surface tension, Young’s equation, equilibrium contact angle, many-body dissipative particle dynamics with energy conservation (MDPDE)

Abstract: Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades. At mesoscopic scale, numerical simulations of liquid droplets motion, such as impacting, sliding, and coalescence, have been widely studied by using the particle-based method named many-body dissipative particle dynamics (MDPD). However, the detailed information on heat transfer needs further description. This paper develops a modified MDPD with energy conservation (MDPDE) by introducing a temperature-dependent long-term attractive interaction. By fitting or deriving the expressions of the strength of the attractive force, the exponent of the weight function in the dissipative force, and the mesoscopic heat friction coe–cient about temperature, we calculate the viscosity, self-diffusivity, thermal conductivity, and surface tension, and obtain the Schmidt number Sc, the Prandtl number Pr, and the Ohnesorge number Oh for 273 K to 373 K. The simulation data of MDPDE coincide well with the experimental data of water, indicating that our model can be used to simulate the dynamic behaviors of liquid water. Furthermore, we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations. The coincident results not only stand for the validation of Young’s equation at mesoscale, but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces. Our model can be extended to study the multiphase flow with complex heat and mass transfer.

Key words: surface tension, Young’s equation, equilibrium contact angle, many-body dissipative particle dynamics with energy conservation (MDPDE)

中图分类号:

82C80

Jie LI, Kaixuan ZHANG, Chensen LIN, Lanlan XIAO, Yang LIU, Shuo CHEN. Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction[J]. Applied Mathematics and Mechanics (English Edition), 2022, 43(4): 497-506.

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Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction

Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction

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