Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids

doi:10.1017/jfm.2023.893

	Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids
	Shan, Baochao; Su, Wei; Gibelli, Livio; Zhang YH(张勇豪)
通讯作者	Zhang, Yonghao(yonghao.zhang@imech.ac.cn)
发表期刊	JOURNAL OF FLUID MECHANICS
	2023-11-24
卷号	976 页码:36
ISSN	0022-1120
摘要	A thermodynamically consistent kinetic model is proposed for the non-equilibrium transport of confined van der Waals fluids, where the long-range molecular attraction is considered by a mean-field term in the transport equation, and the transport coefficients are tuned to match the experimental data. The equation of state of the van der Waals fluids can be obtained from an appropriate choice of the pair correlation function. By contrast, the modified Enskog theory predicts non-physical negative transport coefficients near the critical temperature and may not be able to recover the Boltzmann equation in the dilute limit. In addition, the shear viscosity and thermal conductivity are predicted more accurately by taking gas molecular attraction into account, while the softened Enskog formula for hard-sphere molecules performs better in predicting the bulk viscosity. The present kinetic model agrees with the Boltzmann model in the dilute limit and with the Navier-Stokes equations in the continuum limit, indicating its capability in modelling dilute-to-dense and continuum-to-non-equilibrium flows. The new model is examined thoroughly and validated by comparing it with the molecular dynamics simulation results. In contrast to the previous studies, our simulation results reveal the importance of molecular attraction even for high temperatures, which holds the molecules to the bulk while the hard-sphere model significantly overestimates the density near the wall. Because the long-range molecular attraction is considered appropriately in the present model, the velocity slip and temperature jump at the surface for the more realistic van der Waals fluids can be predicted accurately.
关键词	microscale transport kinetic theory
DOI	10.1017/jfm.2023.893
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:001108909400001
关键词[WOS]	LATTICE BOLTZMANN MODELS ; HIGH KNUDSEN NUMBER ; EQUATION-OF-STATE ; BULK VISCOSITY ; MULTIPARAMETER CORRELATION ; ENSKOG EQUATION ; DENSE FLUIDS ; GAS ; DYNAMICS ; ARGON
WOS研究方向	Mechanics ; Physics
WOS类目	Mechanics ; Physics, Fluids & Plasmas
资助项目	Engineering and Physical Sciences Research Council[EP/R029598/1] ; UK Consortium on Mesoscale Engineering Sciences (UKCOMES) under the UK Engineering and Physical Sciences Research Council ; Computational Science Centre for Research Communities, through UKCOMES
项目资助者	Engineering and Physical Sciences Research Council ; UK Consortium on Mesoscale Engineering Sciences (UKCOMES) under the UK Engineering and Physical Sciences Research Council ; Computational Science Centre for Research Communities, through UKCOMES
论文分区	一类/力学重要期刊
力学所作者排名	1
RpAuthor	Zhang, Yonghao
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/93543
专题	高温气体动力学国家重点实验室
推荐引用方式 GB/T 7714	Shan, Baochao,Su, Wei,Gibelli, Livio,et al. Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids[J]. JOURNAL OF FLUID MECHANICS,2023,976:36.
APA	Shan, Baochao,Su, Wei,Gibelli, Livio,&张勇豪.(2023).Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids.JOURNAL OF FLUID MECHANICS,976,36.
MLA	Shan, Baochao,et al."Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids".JOURNAL OF FLUID MECHANICS 976(2023):36.

条目包含的文件		下载所有文件
文件名称/大小	文献类型	版本类型	开放类型	使用许可
Jp2023A071.pdf（1113KB）	期刊论文	出版稿	开放获取	CC BY-NC-SA	浏览下载