Molecular rheology of perfluoropolyether lubricant via nonequilibrium molecular dynamics simulation

被引：0

作者：

Guo, Qian ^{[1
]}

Chung, Pil Seung ^{[1
]}

Chen, Haigang ^{[1
]}

Jhon, Myung S. ^{[1
]}

机构：

[1] Department of Chemical Engineering, Data Storage Systems Center, Carnegie Mellon University, Pittsburgh, PA 15213

来源：

Journal of Applied Physics | 2006年 / 99卷 / 08期

关键词：

Molecular rheology of perfluoropolyether (PFPE) systems is particularly important in designing effective lubricants that control the friction and wear in tribological applications. Using the coarse-grained; bead-spring model; equilibrium molecular dynamics based on the Langevin equation in a quiescent flow was first employed to examine the nanostructure of PFPE. Further; by integrating the modified Langevin equation and imposing the Lees-Edwards boundary condition; nonequilibrium molecular dynamics of steady shear was investigated. We observe that the shear viscosity of PFPE system depends strongly on molecular architecture (e.g; molecular weight and endgroup functionality) and external conditions (e.g; temperature and shear rate). Our study of the flow activation energy/entropy and their correlations with nanostructure visualization showed that the PFPE structure was substantially modified. © 2006 American Institute of Physics;

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摘要：

Journal article (JA)

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