(232m) Direct Comparison of the Static and Dynamic Properties of a Semi-Flexible Polymer Calculated Using Lattice-Boltzmann and Brownian Dynamics Simulations

Authors: 
Kekre, R. - Presenter, University of Florida
Butler, J. - Presenter, University of Florida


We compare the results of lattice-Boltzmann and Brownian dynamics simulations of the static and dynamic properties of linear chain molecules. Results of published studies using either of the methods show similar results, but different choices of polymer model preclude a quantitative comparison. Here, simulations of an identical model of a linear polymer chain enable the quantitative conclusion that results from the lattice-Boltzmann method agree with those from Brownian dynamics within one percent. Presented results include a systematic study of parameters that may affect the accuracy of the of the lattice-Boltzmann simulations, including the temperature, mass of the polymer, viscosity of the fluid, and the lattice-Boltzmann grid spacing with respect to the polymer size.