1. Numerical simulation of polymer root-mean-square size (a) Determine the root-mean-square (rms) end-to-end distance of

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1 Numerical Simulation Of Polymer Root Mean Square Size A Determine The Root Mean Square Rms End To End Distance Of 1 (144.97 KiB) Viewed 58 times

1. Numerical simulation of polymer root-mean-square size (a) Determine the root-mean-square (rms) end-to-end distance of an ideal polymer chain in 2D using numerical simulations with, for example, Matlab. Show that the rms size is R = (rº)1/2 = 6N1/2. (b) Simulate a more realistic 2D polymer by approximating it as a freely jointed chain (see Q.2 below) with a bond angle of 0 = 90°. Compare your numerical results with Eq. (1) (see below). Write a concise description (max 2 pages) of your code and the results, including at least one figure showing a visualisation of a simulated polymer from (a) and (b) as well as at least one graph showing the results (data) of the simulations compared with the theory. Include the code file (as text) as an appendix. Hints: Create an N-step long random walk in 2D (set b=1 and assume a square lattice). Calculate the rms end-to-end size of the polymer for many different N values. Remember that you need to perform many calculations per chain length to get a reliable average value. Compare your results to the analytical predictions.