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Showing 1 to 11 of 11 for “"Smoluchowski equation"”.
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Theory of nonequilibrium transport based on a class of chaotic fluctuations
… in a potential field, we arrive at a transport equation in the form of an inhomogeneous Smoluchowski equation with a source term. The source term is identified to be associated with the statistical asymmetry of the chaotic fluctuations. In particular, the theory has enabled us to give a …
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A Stochastic Model for The Transmission Dynamics of Toxoplasma Gondii
… due to Gillespie, based on the chemical master equation, is introduced. A compartment-based model and a Smoluchowski equation model are described to simulate the diffusion of hosts. The parameter analyses are conducted based on the reproduction number. The analyses based on the deterministic …
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Structure-property relationships in physical polymer gels
… kinetics. By using a modified form of the Smoluchowski equation to track the full probability distribution of looped, bridged, and dangling chain conformations in the network, it is possible to see relationships between the rate at which chains associate and dissociate and the presence of …
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Modelling of colloidal dynamics in complex soft matter systems
… conditions by analytically solving the 2-Body Smoluchowski equation. The obtained solution is an extension of already existing theories and it is able to recover previous results for hard-spheres fluids under semi-dilute conditions. The new framework has also unveiled a new rich physical …
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A Least Squares Closure Approximation for Liquid Crystalline Polymers
… data generated from the kinetic solution of the Smoluchowski equation. The known behavior of the kinetic solution and existing closure schemes at equilibrium is compared with that of the new closure scheme. The performance of the proposed closure scheme in simple shear flow for a variety of shear …
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Pseudospectral methods in quantum and statistical mechanics
… methods for the solution of differential equations based on the expansion of basis functions defined on a set of grid points. In this thesis, the relationship between the distribution of grid points and the accuracy and convergence of the solution is emphasized. The polynomial and sinc …
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On the relevance of adhesion : applications to Saturn's rings
… on coagulation alone, a coagulation equation, including a restricted sticking probability is derived. The otherwise phenomenological Smoluchowski equation is reproduced from basic principles and denotes a limit case to the derived coagulation equation. Qualitative and quantitative …
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Contemporary Problems in Aerosol Aggregation and Gelation
… late-stage regimes in which the mean-field Smoluchowski Equation fails. This late stage kinetics of gelation was probed using a high temporal resolution Monte Carlo DLCA simulation, and system independent kinetic formulations were established along with improved parametrization on the …
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Modeling Pattern Formation in Biopolymer Systems induced by Reaction Kinetics and Molecular Motors
… efforts we chose a mesoscopic approach, namely a Smoluchowski equation which can be coarse-grained to obtain equations for the density and the orientation of the filaments. The main difference to a passive solution of rods are active motor-mediated currents caused by a motor density assumed …
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Single molecule optical absorption by STM and a new algorithm for solving dynamics on a free energy surface
… dynamics on free energy surfaces based on the Smoluchowski diffusion equation. Computational cost is saved by reducing the complexity of the surface through the use of a singular value decomposition basis set. Fitting is performed with a parallelized genetic algorithm. Free energy surfaces are …
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Methods for increasing model accuracy and simulation time scales of biological processes with molecular dynamics
This dissertation presents three research projects on novel methods in computational bio- physics. Each of these projects introduces methodologies to extend the capabilities of molecular dynamics simulations in one way or another. In the first chapter, molecular dynamics simulations and the central …