非均匀固体表面间二维流动的混合分子尺度和连续介质模型及其在推力轴承上的应用。

IF 2.5 4区 化学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Journal of Molecular Modeling Pub Date : 2025-01-27 DOI:10.1007/s00894-024-06258-8
Xiaoying Shao, Chen Huang, Yongbin Zhang
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引用次数: 0

摘要

背景:推导了用于描述具有非均匀固体表面的极小表面分离中的二维混合分子尺度和连续流动的流动方程,可用于特定轴承的设计。本研究的目的是在计算成本正常的情况下解决工程中的这一特定流动问题。流动因子逼近模型描述了靠近固体表面的分子层的流动,牛顿流体模型描述了中间连续流体的流动。利用这些流动方程,仿真结果表明,设计非均匀静止面可以非常显著地提高小间隙流体动力推力轴承的承载能力。方法:将物理吸附层的流动视为非连续体,考虑流体分子垂直于固体表面,采用等效非连续体流动模型对其进行建模。两个吸附层之间的流体被视为连续介质和牛顿流体。在吸附层-固相界面之间会发生滑移。假设在吸附层-连续流体界面上不存在。根据表面间隙中动量传递的平衡,导出了流动方程。应用所得的流动方程,推导了小间隙非均匀表面推力轴承的油膜压力和承载载荷。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Hybrid molecular-scale and continuum modeling of two-dimensional flow between inhomogeneous solid surfaces and its application to the thrust bearing

Context

The flow equations are derived for describing the two-dimensional hybrid molecular-scale and continuum flows in the very small surface separation with inhomogeneous solid surfaces and they can be applied for designing the specific bearings. The aim of the present study is to solve this specific flow problem in engineering with normal computational cost. The flow factor approach model describes the flow of the molecule layer adjacent to the solid surface and the Newtonian fluid model describes the flow of the intermediate continuum fluid. By using these flow equations, the simulation results show that designing the inhomogeneous stationary surface can very significantly improve the load-carrying capacity of the hydrodynamic thrust bearing with low clearances.

Method

The flow of the physically adsorbed layer is treated as non-continuum and it is modeled by the equivalent non-continuum flow model by considering the fluid molecules orientated normal to the solid surface. The fluid between the two adsorbed layers is treated as continuum and Newtonian. The slippage can occur between the adsorbed layer-solid surface interface. It is assumed as absent on the adsorbed layer-continuum fluid interface. The flow equations are derived according to the equilibrium of the momentum transfer in the surface clearance. The film pressures and carried load of the thrust bearing with low clearance and inhomogeneous surfaces are derived by applying the obtained flow equations.

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来源期刊
Journal of Molecular Modeling
Journal of Molecular Modeling 化学-化学综合
CiteScore
3.50
自引率
4.50%
发文量
362
审稿时长
2.9 months
期刊介绍: The Journal of Molecular Modeling focuses on "hardcore" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling. Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry. Topics include computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.
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