Meeting Banner
Abstract #2008

Exploring Structural, Diffusive and Thermodynamic Properties of Model Systems with Molecular Dynamics Simulations

Jonathan Phillips1

1Institute of Life Science, College of Medicine, Swansea University, Swansea, United Kingdom

This work aims at introducing methods of molecular dynamics (MD) simulation into diffusion MRI modelling. MD allows the study of transport properties (e.g. diffusion), structural properties (e.g. radial distribution functions) and thermodynamic properties (e.g. pressure). Access to all of these properties allows investigation into the links between them. We present the first steps into studying all of these properties (including the diffusion coefficient and kurtosis) in model systems for comparison with MRI data. The system is a binary mixture which includes a diffusing species (the solvent e.g. water) and a larger spatially-fixed species (modelling cellular-sized colloid particles).

This abstract and the presentation materials are available to members only; a login is required.

Join Here