The effect of size of copper oxide nanoparticles on the thermal behavior of silica aerogel/paraffin nanostructure in a duct using molecular dynamics simulation

被引:8
作者
An, Qing [1 ]
Bagheritabar, Mohsen [2 ]
Basem, Ali [3 ]
Ghabra, Amer Ali [4 ]
Li, Yaqiong [1 ]
Tang, Miao [1 ]
Sabri, Laith S. [5 ]
Sabetvand, Rozbeh [6 ]
机构
[1] Wuchang Univ Technol, Sch Artificial Intelligence, Wuhan 430223, Hubei, Peoples R China
[2] Univ Cincinnati, Dept Elect & Comp Engn, Cincinnati, OH USA
[3] Warith Al Anbiyaa Univ, Fac Engn, Karbala 56001, Iraq
[4] Al Amarah Univ Coll, Dept Petr Engn, Maysan, Iraq
[5] Univ Technol Iraq, Dept Chem Engn, Baghdad, Iraq
[6] Amirkabir Univ Technol, Fac Condensed Matter Phys, Dept Energy Engn & Phys, Tehran, Iran
关键词
Phase change materials; Silica aerogel; Nanocomposite; Molecular dynamics simulation; PHASE-CHANGE MATERIALS; ENERGY STORAGE;
D O I
10.1016/j.csite.2024.104666
中图分类号
O414.1 [热力学];
学科分类号
摘要
Due to the rise in gas prices and the surge in greenhouse gas emissions, individuals have turned various renewable energy options. Silica aerogels are highly effective to maintain either hot cold Temps. Insulation options with proficient thermal storage capabilities, such as phase change materials (PCMs), are highly beneficial. This study aimed to determine how the size of copper ide nanoparticles affected the behavior of a silica aerogel/paraffin nanostructure within a The researchers utilized computer simulation as a means to examine the thermal behavior and complex properties of the particles. To accomplish this objective, we evaluated the effect various factors, such as the size of NPs incorporated into the structure, on density, temperature (Temp), heat flux, thermal conductivity, and charging and discharging time. According to the sults, by increasing the radius of the nanoparticle to 10 & Aring;, the density value in the atomic sample reached 0.1353 atoms/& Aring; 3 . Moreover, the velocity (Vel) decreased to 0.0085 & Aring;/fs. As the radius was 10 A, the thermal conductivity decreases from 1.74 W/m.k to 1.65 W/m.K. Also, by increasing the size of the nanoparticle, the charging and discharging time in the target atomic sample creases and decreases to 6.28 ns and 8.52 ns, respectively.
引用
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页数:10
相关论文
共 34 条
[1]  
Ayres R.U., 1991, Environmental and Resource Economics, V1, P237, DOI [DOI 10.1007/BF00367920, 10.1007/BF00367920]
[2]   THE CHARACTERIZATION OF ATOMIC INTERACTIONS [J].
BADER, RFW ;
ESSEN, H .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :1943-1960
[3]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[4]   Enhanced sampling techniques in molecular dynamics simulations of biological systems [J].
Bernardi, Rafael C. ;
Melo, Marcelo C. R. ;
Schulten, Klaus .
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2015, 1850 (05) :872-877
[5]   Avogadro: an advanced semantic chemical editor, visualization, and analysis platform [J].
Hanwell, Marcus D. ;
Curtis, Donald E. ;
Lonie, David C. ;
Vandermeersch, Tim ;
Zurek, Eva ;
Hutchison, Geoffrey R. .
JOURNAL OF CHEMINFORMATICS, 2012, 4
[6]   Molecular Dynamics Simulation for All [J].
Hollingsworth, Scott A. ;
Dror, Ron O. .
NEURON, 2018, 99 (06) :1129-1143
[7]  
Huray P.G., 2011, Maxwell's Equations, DOI DOI 10.1002/9780470549919
[8]   First-principles Green-Kubo method for thermal conductivity calculations [J].
Kang, Jun ;
Wang, Lin-Wang .
PHYSICAL REVIEW B, 2017, 96 (02)
[9]   Molecular dynamics simulations of biomolecules [J].
Karplus, M ;
McCammon, JA .
NATURE STRUCTURAL BIOLOGY, 2002, 9 (09) :646-652
[10]   Molecular dynamics and protein function [J].
Karplus, M ;
Kuriyan, J .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (19) :6679-6685