Computational Engineering Commons^™

Large Scale Brownian Dynamics Simulation Of Dilute And Semidilute Polymeric Solutions, Amir Saadat

Doctoral Dissertations

Excluded Volume (EV) and Hydrodynamic Interactions (HI) play a central role in static and dynamic properties of macromolecules in solution under equilibrium and nonequilibrium settings. The computational cost of incorporating HI in mesoscale Brownian dynamics (BD) simulations, particularly in the semidilute regime has motivated significant research aimed at development of high-fidelity and efficient techniques.

In this study, I have developed several algorithms for the mesoscale bead-spring representation of a macromolecular solution in dilute and semidilute regimes. The Krylov subspace method enables fast calculation of single chain dynamics with simulation time scaling of O(N_b²) [order N …

A Model For Complex Heat And Mass Transport Involving Porous Media With Related Applications, Furqan A. Khan

Electronic Thesis and Dissertation Repository

Heat and mass transfer involving porous media is prevalent in, for example, air-conditioning, drying, food storage, and chemical processing. Such applications require non-equilibrium heat and mass (or moisture) transfer modeling inside porous media in conjugate fluid/porous/solid framework. Moreover, modeling of turbulence and turbulent heat and mass transfer becomes essential for many applications. A comprehensive literature review shows a scarcity of models having such capabilities. In this respect, the objectives of the present thesis are to: i) develop a formulation that simulates non-equilibrium heat and mass transfer in conjugate fluid/porous/solid framework, ii) demonstrate the capabilities of the developed formulation by simulating …