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Introducing a New Boundary Condition Method in Dissipative Particle Dynamics and Simulation of Dilute Polymer Solution

Nobari, Babak | 2010

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 40721 (08)
  4. University: Sharif University of Technology
  5. Department: Mechanical Engineering
  6. Advisor(s): Saidi, Mohammad Saeid; Saidi, Mohammad Hassan; Shafiee, Mohammad Behshad
  7. Abstract:
  8. Dissipative particle dynamics (DPD) is an emerging mesoscopic computational method in which the interparticle forces arise because of coarse-graining at the molecular level. In the asymptotic limit of large length scales, the governing equations of continuum are reproduced, as demonstrated in this work. This method of simulation has the capability of simulating larger order of time and space in compare with dynamic molecular method. One of the important applications of DPD is simulating the dilute polymer solution. In this project, we developed a general code to simulate dilute polymer behavior which consists of polymeric forces and different types of usual DPD boundary conditions. This code is developed to be compatible with different geometry simply. As the general code is so complicated, object oriented scheme has employed in writing of this code.
    One of the crucial problems of simulating no slip boundary in DPD is unnatural fluctuation in density near the boundary's wall. Previous researchers have developed different methods to reduce such fluctuations. In most of these methods fluctuations has remained or their methods was applicable in some special geometry. In this project, we introducing a new method based on previous works in order to simulate the no slip boundary condition. The result of simulating Poiseuille flow shows that this method of applying boundary condition in significantly superior rather than previous methods in both, reducing unnatural density fluctuations and representing correct no slip behavior.

  9. Keywords:
  10. Computer Simulation ; Boundary Conditions ; Dissipative Particle Dynamics (DPD) ; Polymeric Solution

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