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Numerical Simulation of Polymer Flow with Dissipative Particle Dynamics Method

Author: ZhangWenLi
Tutor: ShenChangYuï¼›CaoWei
School: Zhengzhou University
Course: Materials Processing Engineering
Keywords: Dissipative particle dynamics Polymer fluid Macroscopic - microscopic coupling Rheological properties of polymer
CLC: O631.21
Type: Master's thesis
Year: 2009
Downloads: 63
Quote: 1
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Abstract


Polymer fluid physical phenomena observed on the macroscopic scale is determined by the fluid microstructure , some fluid characteristics depend on the polymer aggregation structure is not the most subtle molecular structure , which requires research methods reach the mesoscopic scale . Cellular Automata and Lattice - Boltzmann methods belong to the mesoscopic scale numerical simulation technology , but they are more difficult to deal with complex fluid ; molecular dynamics is difficult to achieve due to the amount of computation required is too large . Dissipative particle dynamics (DPD) is an emerging mesoscopic scale numerical simulation technology . DPD system , the basic unit is called particle momentum vector, representatives of these particles is a collection of a large number of molecules . The superiority of the DPD method is that it can easily simulate fluid systems, microscopic information provides the molecular orientation of the fluid , velocity, etc. . In this paper, dissipative particle dynamics of this method to study the dynamical behavior of the fluid discussion , study include: 1 . Discussed the basic theory of the DPD method . Including its basic idea, the detailed algorithm as well as the selection of various parameters . The application of this method to simulate three - dimensional fully developed flow of a simple fluid Poiseuille fluid flow and square channel , with theoretical analysis solution results of classical literature , Fluent software simulation results were compared to verify the correctness of the algorithm . 3. Polymer fluid simulation based on the DPD method , calculate the parameters of the rheological properties of polymer fluid ; mesoscopic scale polymer fluid simulation macro - micro Coupled combination of the classic hydrodynamic equations and the DPD theoretical methods methods of analysis This research uses a dissipative particle dynamics simulation of fluid flow behavior conducive to a more profound understanding of the fluid flow deformation energy .

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CLC: > Mathematical sciences and chemical > Chemistry > Polymer chemistry ( polymer ) > Polymer physics and physical chemistry of polymers > The physical properties of polymers > Mechanical properties
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