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Dynamics and equilibrium properties of polymeric systems

Posted on:2002-08-16Degree:Ph.DType:Dissertation
University:University of PittsburghCandidate:Chern, Shyh-ShiFull Text:PDF
GTID:1461390014950824Subject:Physics
Abstract/Summary:
A mean field model of grafted triblock copolymers is solved numerically. Also, scaling analysis is utilized to understand this polymeric system, i.e., compressing two surfaces coated with the triblock copolymers. Through the scaling analysis, one finds guidelines which yield multiple, distinct minima in the interaction profile. In addition, the self-consistent mean field method provides a pictorial understanding of polymer morphological changes via different interactions between two surfaces. Both of the SCF methods and the scaling analysis reveal new ways for fabricating polymer-coated colloidal systems that show two or more minima in the free energy of interaction.;A Langevin dynamics simulation is used to study the phenomenon of entropic trapping of a flexible polymer in a fixed network of random obstacles embedded with a spherical cavity. The partition coefficient K is defined and calculated. It is found that ln K increases linearly in the short chain regime and decreases logarithmically in the long chain regime. The crossover regime occurs when the end-to-end distance to the polymer matches the diameter of the sphere.;The reliability of lattice mean-field theory (LMFT) methods in polymer physics is examined. By comparing LMFT results with those obtained from two independent Monte Carlo (MC) simulations, one finds that LMFT results from the partition coefficient data are not reliable quantitatively although they agree qualitatively with the MC results. The unreliability of the LMFT methods is due to the saddle-point approximation to the system's partition function.;A dynamical Monte Carlo (DMC) simulation is carried out to investigate polymer translocation dynamics through a narrow pore in a rigid wall under the influence of an external driven field. By comparing DMC results with those obtained from a 1D Smoluchowski equation, one concludes that a 1D dynamical description of translocation coordinate n can replace the 3D dynamical problem of space coordinate x&ar; under investigation. One also finds that the translocation time is linearly dependent on the polymer length.
Keywords/Search Tags:Polymer, Scaling analysis, Dynamics, LMFT
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