Multiscale Modeling and Simulation – Developing Solutions which Link the Atomistic, Mesoscale, and Engineering Scales - Conference Paper

Problem and Modeling Approach: —Long-wear soft contact lenses must transport O2 to the evascular cornea, making high swelling in H2O desirable, but diffusion of lipids, glycoproteins etc. must then be curtailed by a suitable surface treatment —Molecular dynamics simulations, yields mean squared displacements, and hence diffusivities, for O2 and H2O in aqueous solutions of poly(N-vinyl pyrrolidone) (PVP).