Viscosity measurement techniques in Dissipative Particle Dynamics

被引:73
作者
Boromand, Arman [1 ]
Jamali, Safa [1 ]
Maia, Joao M. [1 ]
机构
[1] Case Western Reserve Univ, Dept Macromol Sci & Engn, Cleveland, OH 44106 USA
关键词
Dissipative Particle Dynamics; Mesoscale simulation; Viscosity; Periodic boundary condition; Non-equilibrium; DENSE COLLOIDAL SUSPENSIONS; SLIP BOUNDARY-CONDITION; SIMULATION; COMPUTER; RHEOLOGY; FLOW; GAP; DPD;
D O I
10.1016/j.cpc.2015.05.027
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
In this study two main groups of viscosity measurement techniques are used to measure the viscosity of a simple fluid using Dissipative Particle Dynamics, DPD. In the first method, a microscopic definition of the pressure tensor is used in equilibrium and out of equilibrium to measure the zero-shear viscosity and shear viscosity, respectively. In the second method, a periodic Poiseuille flow and start-up transient shear flow is used and the shear viscosity is obtained from the velocity profiles by a numerical fitting procedure. Using the standard Lees Edward boundary condition for DPD will result in incorrect velocity profiles at high values of the dissipative parameter. Although this issue was partially addressed in Chatterjee (2007), in this work we present further modifications (Lagrangian approach) to the original LE boundary condition (Eulerian approach) that will fix the deviation from the desired shear rate at high values of the dissipative parameter and decrease the noise to signal ratios in stress measurement while increases the accessible low shear rate window. Also, the thermostat effect of the dissipative and random forces is coupled to the dynamic response of the system and affects the transport properties like the viscosity and diffusion coefficient. We investigated thoroughly the dependency of viscosity measured by both Eulerian and Lagrangian methodologies, as well as numerical fitting procedures and found that all the methods are in quantitative agreement. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码:149 / 160
页数:12
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