Modeling and simulation of micro/nano-rod distribution in micro channel flows

<p>"The behavior of a typical nanorod particle in microscale flows was theoretically investigated, considering the effect of the wall on the rotational and translation motions of the non-spherical particle. Initially, a systematic method using Brownian dynamics simulation of the rotational motion of nanorod was performed to obtain the average orientation distribution of a nanorod in various range of Peclet number and position from the confining wall. Subsequently, the results of the angle distributions simulation were employed to generate a universal mathematical model for the particle orientation distribution, which our model of concentration distribution of high aspect ratio nanorods in the microchannel was later built on. We identified three different rod-wall interaction mechanisms in the entire rages of Pe. Then, the model was extended to study low and high aspect ratio ellipsoidal nanorod particle separation in a Field Flow Fractionation channel. The model can describe the aspect ratio dependent elution behavior.</p><p>In addition, Brownian dynamics simulation of microchannel separation of differently sized DNA chains driven by electrophoretic properties of DNA in an electric field was studied. COMSOL Multiphysics®, a popular science and engineering simulation software based on the finite element method, was used to perform the bead-spring dynamic simulation of the semi-flexible chain. The simulation results for DNA migration in an array of entropic traps were validated with the previous findings"--Abstract, page iv.</p>

Name thesis:degree_name

Ph. D. in Chemical Engineering

Grantor

Missouri University of Science and Technology

Author dc:creator

• Monjezi, Saman

• Confined nanorod
• DNA dynamic simulation
• Microfluidic channels
• Modeling and simulation
• Nanoparticle distribution
• Chemical Engineering

Repository record dc:identifier

https://scholarsmine.mst.edu/doctoral_dissertations/2786

OAI identifier oai:identifier

oai:scholarsmine.mst.edu:doctoral_dissertations-3791