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- W164443180 abstract "1 CHAPTER 1. INTRODUCTION 2 CHAPTER 2. LITERATURE REVIEW 5 2.1 BEAD-‐SPRING MODEL 5 2.2 BROWNIAN DYNAMICS (BD) SIMULATION 7 2.3 THE WALL EFFECT 9 CHAPTER 3. MODEL DESCRIPTIONS 11 3.1 PHYSICAL FORCES 11 3.1.1 Brownian force 11 3.1.2 Spring force 12 3.1.3 Viscous drag force 12 3.1.4 Bead-‐bead Lennard-‐Jones potential 13 3.1.5 Bead-‐wall Lennard-‐Jones potential 14 3.2 GOVERNING EQUATIONS 16 3.3 CALCULATED PARAMETERS 17 3.3.1 The radius of gyration Rg 17 V 3.3.2 The distance between the polymer chain and the wall Z R 17 CHAPTER 4. NUMERICAL METHOD 19 4.1 INITIALIZATION 19 4.2 THE MAIN LOOP 21 4.3 PARAMETERS USED IN THE NUMERICAL SIMULATIONS 22 4.3.1 Time step 22 4.3.2 Relaxation time and shear rate 22 4.3.3 Choice of length parameter and energy parameter 23 CHAPTER 5. RESULTS AND DISCUSSIONS 25 5.1 QUIESCENT SOLUTION 25 5.2 THE POLYMER CHAIN IN FLOW 33 BIBLIOGRAPHY 44 VITA 48" @default.
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- W164443180 title "Simulation of single polymer chains with influences of solid walls under imposed flow fields" @default.
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