基于从头算势的稀有气体多组分混合物输运系数:粘度和导热性

F. Sharipov, V. J. Benites
{"title":"基于从头算势的稀有气体多组分混合物输运系数:粘度和导热性","authors":"F. Sharipov, V. J. Benites","doi":"10.1063/5.0016261","DOIUrl":null,"url":null,"abstract":"The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab initio interatomic potentials are employed in order to calculate the omega-integrals. The relative numerical errors of the viscosity and thermal conductivity do not exceed 1.e-6 and 1.e-5, respectively. The relative uncertainty related to the interatomic potential is about 0.1%. A comparison of the present data with results reported in other papers available in the literature shows a significant improvement of accuracy of the transport coefficients considered here.","PeriodicalId":8424,"journal":{"name":"arXiv: Computational Physics","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2020-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"10","resultStr":"{\"title\":\"Transport coefficients of multi-component mixtures of noble gases based on ab initio potentials: Viscosity and thermal conductivity\",\"authors\":\"F. Sharipov, V. J. Benites\",\"doi\":\"10.1063/5.0016261\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab initio interatomic potentials are employed in order to calculate the omega-integrals. The relative numerical errors of the viscosity and thermal conductivity do not exceed 1.e-6 and 1.e-5, respectively. The relative uncertainty related to the interatomic potential is about 0.1%. A comparison of the present data with results reported in other papers available in the literature shows a significant improvement of accuracy of the transport coefficients considered here.\",\"PeriodicalId\":8424,\"journal\":{\"name\":\"arXiv: Computational Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2020-06-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"10\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv: Computational Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1063/5.0016261\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv: Computational Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1063/5.0016261","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 10

摘要

应用Chapman-Enskog方法,计算了低密度下由氦、氖、氩和氪组成的二元、三元和四元混合物的粘度和导热系数。为了计算积分,采用从头算原子间势。黏度和导热系数的相对数值误差不超过1。E-6和1。分别e-5。原子间势的相对不确定度约为0.1%。将本数据与文献中其他论文报告的结果进行比较,表明本文所考虑的输运系数的精度有了显著提高。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Transport coefficients of multi-component mixtures of noble gases based on ab initio potentials: Viscosity and thermal conductivity
The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab initio interatomic potentials are employed in order to calculate the omega-integrals. The relative numerical errors of the viscosity and thermal conductivity do not exceed 1.e-6 and 1.e-5, respectively. The relative uncertainty related to the interatomic potential is about 0.1%. A comparison of the present data with results reported in other papers available in the literature shows a significant improvement of accuracy of the transport coefficients considered here.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
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:481959085
Book学术官方微信