Molecular dynamics simulation of thermal behavior of ammonia refrigerant in the presence of copper nanoparticles

Q1 Chemical Engineering
Hawzhen Fateh M. Ameen , Ali B.M. Ali , Ahmed Shawqi Sadeq , Narinderjit Singh Sawaran Singh , Soheil Salahshour , Sh. Baghaei
{"title":"Molecular dynamics simulation of thermal behavior of ammonia refrigerant in the presence of copper nanoparticles","authors":"Hawzhen Fateh M. Ameen ,&nbsp;Ali B.M. Ali ,&nbsp;Ahmed Shawqi Sadeq ,&nbsp;Narinderjit Singh Sawaran Singh ,&nbsp;Soheil Salahshour ,&nbsp;Sh. Baghaei","doi":"10.1016/j.ijft.2025.101287","DOIUrl":null,"url":null,"abstract":"<div><div>Nanofluids are mixtures of a base fluid and nanoparticles (also known as nano-scaled particles), and they were used within advanced heat transfer applications with known aggregation issues as well as unreliability in performance. Molecular dynamics simulations can effectively look at nanofluid behavior with no disruptions, especially when considering the complications and limitations involved with performing experiments at the nano-scale. We conducted molecular dynamics simulations that investigate the thermal and atomic behaviors of a nanofluid, which involved ammonia nanofluids with copper nanoparticles in aluminum nanochannels. Our results focused on evaluating the outflow of the nanofluid and on determining the primary factors including maximum velocity, temperature heat flux and nanoparticle aggregation time while modifying the initial conditions of temperature (300-350 K), and pressure (1-5 bar). Furthermore, we found the thermophysical properties of the nanofluids were heavily dependent on the initial temperature and pressure. By improving the initial temperature and pressure, thermal systems can support the promotion of efficiency and sustainability. We also measured the kinetic and potential energies, with the potential energies measuring -8399.15 eV and 80.69 eV after 5 ns with no indications of structural instabilities. The results indicated that as the initial temperature was increased, maximum velocity increased from 0.00086 to 0.00099 Å/ps and maximum temperature increased from 240 to 258 K. Furthermore, heat flux decreased from 1411 to 1397 W/m² and aggregation time decreased from 3.96 to 3.93 ns. On the other hand, maximum velocity decreased to 0.00078 Å/ps and maximum temperature decreased to 234 K, as well as heat flux increased to 1436 W/m² and aggregation time increasing time was increased to 4.07 ns, with the increasing initial pressure. These results provided some insight into the optimization of nanofluids for energy conserving thermal control, by varying operating conditions, and offered implications for sustainable engineering applications.</div></div>","PeriodicalId":36341,"journal":{"name":"International Journal of Thermofluids","volume":"28 ","pages":"Article 101287"},"PeriodicalIF":0.0000,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Thermofluids","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2666202725002344","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Chemical Engineering","Score":null,"Total":0}
引用次数: 0

Abstract

Nanofluids are mixtures of a base fluid and nanoparticles (also known as nano-scaled particles), and they were used within advanced heat transfer applications with known aggregation issues as well as unreliability in performance. Molecular dynamics simulations can effectively look at nanofluid behavior with no disruptions, especially when considering the complications and limitations involved with performing experiments at the nano-scale. We conducted molecular dynamics simulations that investigate the thermal and atomic behaviors of a nanofluid, which involved ammonia nanofluids with copper nanoparticles in aluminum nanochannels. Our results focused on evaluating the outflow of the nanofluid and on determining the primary factors including maximum velocity, temperature heat flux and nanoparticle aggregation time while modifying the initial conditions of temperature (300-350 K), and pressure (1-5 bar). Furthermore, we found the thermophysical properties of the nanofluids were heavily dependent on the initial temperature and pressure. By improving the initial temperature and pressure, thermal systems can support the promotion of efficiency and sustainability. We also measured the kinetic and potential energies, with the potential energies measuring -8399.15 eV and 80.69 eV after 5 ns with no indications of structural instabilities. The results indicated that as the initial temperature was increased, maximum velocity increased from 0.00086 to 0.00099 Å/ps and maximum temperature increased from 240 to 258 K. Furthermore, heat flux decreased from 1411 to 1397 W/m² and aggregation time decreased from 3.96 to 3.93 ns. On the other hand, maximum velocity decreased to 0.00078 Å/ps and maximum temperature decreased to 234 K, as well as heat flux increased to 1436 W/m² and aggregation time increasing time was increased to 4.07 ns, with the increasing initial pressure. These results provided some insight into the optimization of nanofluids for energy conserving thermal control, by varying operating conditions, and offered implications for sustainable engineering applications.
纳米铜存在下氨制冷剂热行为的分子动力学模拟
纳米流体是基础流体和纳米颗粒(也称为纳米级颗粒)的混合物,它们被用于具有已知聚集问题和性能不可靠的高级传热应用中。分子动力学模拟可以在不中断的情况下有效地观察纳米流体的行为,特别是考虑到在纳米尺度上进行实验所涉及的复杂性和局限性。我们进行了分子动力学模拟,研究了一种纳米流体的热学和原子行为,其中包括在铝纳米通道中含有铜纳米颗粒的氨纳米流体。我们的研究结果集中在评估纳米流体的流出量,并确定在改变初始条件(300-350 K)和压力(1-5 bar)的情况下,最大速度、温度、热流密度和纳米颗粒聚集时间等主要因素。此外,我们发现纳米流体的热物理性质在很大程度上取决于初始温度和压力。通过提高初始温度和压力,热系统可以支持提高效率和可持续性。我们还测量了动能和势能,5ns后的势能分别为-8399.15 eV和80.69 eV,没有结构不稳定的迹象。结果表明:随着初始温度的升高,最大速度从0.00086增加到0.00099 Å/ps,最高温度从240 K增加到258 K;热通量从1411 W/m²减少到1397 W/m²,聚集时间从3.96 ns减少到3.93 ns。另一方面,随着初始压力的增加,最大速度降低到0.00078 Å/ps,最高温度降低到234 K,热流密度增加到1436 W/m²,聚集时间增加时间增加到4.07 ns。这些结果为通过改变操作条件来优化纳米流体的节能热控制提供了一些见解,并为可持续的工程应用提供了启示。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
International Journal of Thermofluids
International Journal of Thermofluids Engineering-Mechanical Engineering
CiteScore
10.10
自引率
0.00%
发文量
111
审稿时长
66 days
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信