Publications by authors named "Theo G Theofanous"

The problem of capillary transport in fibrous porous materials at low levels of liquid saturation has been addressed. It has been demonstrated that the process of liquid spreading in this type of porous material at low saturation can be described macroscopically by a similar super-fast, nonlinear diffusion model to that which had been previously identified in experiments and simulations in particulate porous media. The macroscopic diffusion model has been underpinned by simulations using a microscopic network model.

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We propose an adjustable-parameter-free, entangled chain dynamics model of dense polymer solutions. The model includes the self-consistent dynamics of molecular chains and solvent by describing the former via coarse-grained polymer dynamics that incorporate hydrodynamic interaction effects, and the latter via the forced Stokes equation. Real chain elasticity is modeled via the inclusion of a Pincus regime in the polymer's force-extension curve.

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We formulate a coarse-grained molecular-dynamics model of polymer chains in solution that includes hydrodynamic interactions, thermal fluctuations, nonlinear elasticity, and topology-preserving solvent mediated excluded volume interactions. The latter involve a combination of potential forces with explicit geometric detection and tracking of chain entanglements. By solving this model with numerical and computational methods, we study the physics of polymer knots in a strong extensional flow (Deborah number De=1.

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