Molecular Dynamics and the Rouse Model - An Introduction to the ...

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Introduction Methods Results Summary Appendix Verlet Algorithm The Rouse Model The Zimm Model Some Topics Considered Building on Rouse: the Zimm model addresses hydrodynamic interactions between beads the diffusion coefficient and relaxation times agree with experiment. Proposed by B. H. Zimm, J Chem Phys 24, 269 (1956). Daniel Bridges, Dr. Aniket Bhattacharya Molecular Dynamics and the Rouse Model
Introduction Methods Results Summary Appendix Interesting Quantities (Rouse) Verlet Algorithm The Rouse Model The Zimm Model Some Topics Considered Average Radius of Gyration: Rg 2 = 1 ∑ npart npart n=1 〈( R ⃗ n − R ⃗ 〉 G ) 2 End-to-end Distance: ∥R ⃗ ∥ ∥ ∥∥ ∥∥ ∑ 1N = N n=1 ⃗r n∥ Diffusion Constant: D G = k BT Nζ = 1 6t 〈‖⃗r i (t) −⃗r i (0)‖ 2〉 Relaxation Time: τ r ≃ Nb2 D G ζ, (viscous) friction coefficient N, number of monomers k B , Boltzmann constant T , temperature τ, relaxation time Daniel Bridges, Dr. Aniket Bhattacharya Molecular Dynamics and the Rouse Model
Page 1 and 2: Introduction Methods Results Summar
Page 5 and 6: Polymers sit in solvents! Introduct
Page 23: Introduction Methods Results Summar
Page 33 and 34: For Further Reading I Introduction

Molecular Dynamics and the Rouse Model - An Introduction to the ...

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