Brownian Dynamic Simulations of Nanoparticle Dispersions in Polymer Solutions

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ISBN 13 :
Total Pages : 294 pages
Book Rating : 4.:/5 (55 download)

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Book Synopsis Brownian Dynamic Simulations of Nanoparticle Dispersions in Polymer Solutions by : Deepika Rao Gollamandala

Download or read book Brownian Dynamic Simulations of Nanoparticle Dispersions in Polymer Solutions written by Deepika Rao Gollamandala and published by . This book was released on 2009 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Brownian Dynamics Simulation of Nanoparticles and Polymers with Applications in Drug Delivery

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (114 download)

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Book Synopsis Brownian Dynamics Simulation of Nanoparticles and Polymers with Applications in Drug Delivery by : Tiras Y. Lin

Download or read book Brownian Dynamics Simulation of Nanoparticles and Polymers with Applications in Drug Delivery written by Tiras Y. Lin and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Efficient drug delivery is important for the successful treatment of cancerous tumors. After the drug is introduced into the bloodstream, it must make its way into the target tumor at concentrations high enough to effectively treat the tumor. Unfortunately, there are numerous barriers in the tumor microenvironment that hinder this process. Three major transport steps characterize the drug delivery process. First, the drug must flow and distribute itself evenly throughout the blood vessels within the tumor. Second, the drug must extravasate through pores of the blood vessel wall. Finally, the drug must penetrate through the tumor tissue and deliver its payload. Throughout this process, both convection and Brownian diffusion are important transport mechanisms. Historically, the use of small-molecule chemotherapeutics has been the conventional method for treating tumors, however, the use of nanoparticles as drug carriers has recently emerged as a promising alternative. In this thesis, we examine some of the transport barriers that exist in the use of nanoparticles and polymers to treat tumors; where appropriate, we also extend our study to problems that are outside the scope of drug delivery. To do so, we use a combination of Brownian dynamics simulations, analytical approximations of the governing Fokker-Planck equation, and experiments to elucidate the transport processes. We begin by studying the transport of nanoparticles in the blood vessel -- the first step in the drug delivery process. It is well known that transverse velocity gradients, such as those encountered in a pressure-driven flow, can enhance the effective diffusion coefficient of the solute; this process is known as Taylor dispersion. In a blood vessel, in addition to the axial velocity field, however, hydrodynamic interactions with red blood cells drive nanoparticles toward the blood vessel walls in a direction orthogonal to the primary flow direction. Using a combination of perturbation theory and Brownian dynamics simulations, we show how this orthogonal motion, which we characterize as a "cross flow, " affects the transport of nanoparticles. Specifically, we solve for three coefficients describing the transport of nanoparticles: the effective axial dispersion coefficient, the effective velocity, and the effective mass transfer coefficient across the blood vessel wall. Next, we study the configuration and dynamics of polymers tethered to plane walls in shear flow. While this problem is not formally related to the motivating drug delivery problem, this work provides an introduction to the bead-spring model used in Brownian dynamics simulations of polymers. We study the effect of polymer contour length on the average extension of the polymer, and we develop simple scalings to interpret our results; our results are successfully compared to previously published experimental results. Motivated by engineering applications where the adsorption of polymers to walls is important, we also investigate the collision process between the polymer backbone and the wall. Finally, we return to the drug delivery problem and focus on the process of extravasation through pores of the blood vessel wall -- the second step in the drug delivery process. In the first part of this thesis, we characterized the porous blood vessel wall using an effective mass transfer coefficient; here, we zoom in on the microscale and consider transport through an individual pore. Importantly, it is well known that pores develop in the blood vessels in tumors that are significantly larger than those that occur in healthy tissue. Compared to small-molecule chemotherapeutics, which can extravasate in both healthy and tumor tissue thus causing adverse side effects, one of the noteworthy benefits of using relatively larger nanoparticles is that they passively target tumor tissue. First, we consider the extravasation of spheroidal particles, to elucidate the effect of particle shape and size. Next, we consider the effect of coating spherical particles with poly(ethylene glycol) (PEG), a polymer coating that is known to shield the nanoparticle from the body's immune system and thus minimize removal from circulation. To validate the results determined through Brownian dynamics simulations and analytical approximations, we also conduct in vitro experiments, where the extravasation rates of fluorescently-labeled unPEGylated and PEGylated bacteriophage MS2 through porous membranes are measured.

Light Scattering from Polymer Solutions and Nanoparticle Dispersions

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Publisher : Springer Science & Business Media
ISBN 13 : 3540719512
Total Pages : 200 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Light Scattering from Polymer Solutions and Nanoparticle Dispersions by : Wolfgang Schärtl

Download or read book Light Scattering from Polymer Solutions and Nanoparticle Dispersions written by Wolfgang Schärtl and published by Springer Science & Business Media. This book was released on 2007-08-13 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: Light scattering is a very powerful method for characterizing the structure of polymers and nanoparticles in solution. As part of the Springer Laboratory series, this book provides a simple-to-read and illustrative textbook probing the seemingly very complicated topic of light scattering from polymers and nanoparticles in dilute solution, and goes further to cover some of the latest technical developments in experimental light scattering.

Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions

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ISBN 13 :
Total Pages : 178 pages
Book Rating : 4.:/5 (978 download)

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Book Synopsis Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions by : Amir Saadat

Download or read book Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions written by Amir Saadat and published by . This book was released on 2016 with total page 178 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Dynamics Simulation and Modelling of Polymer-nanoparticle Associations

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Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (119 download)

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Book Synopsis Molecular Dynamics Simulation and Modelling of Polymer-nanoparticle Associations by : Jean-Christophe Goulet

Download or read book Molecular Dynamics Simulation and Modelling of Polymer-nanoparticle Associations written by Jean-Christophe Goulet and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: "Polymer-nanoparticle composites exhibit exceptional mechanical properties and are used for a wide range of applications. It is known that the macroscopic properties of these materials depend strongly on the microscopic polymer structure and conformation. However, the fundamental interactions between chains and nanoparticles (NP) are still poorly understood.In this thesis, the polymer-nanoparticle interaction, in the single-polymer-chain-nanoparticle limit is studied using molecular dynamics (MD) simulations. Textbook results for freely-jointed-chains and excluded-volume chains (namely, the scaling for the end-to-end vector and radius of gyration, the end-to-end fluctuations and the force-extension relationship) are used to assess simulation accuracy (e.g., often showing that long simulation times are required to generate equilibrium theoretical properties). Next, a polymer chain adsorbed on a spherical NP is studied. The system in a force-free state is modelled as a Gaussian, furnishing the probability distribution function of the chain end-to-end vector, and the chain tension and free energy. Chain desorption is investigated, furnishing a force-extension relationship, which is broken down into four regimes each controlled by different dynamics. A model accounting for three of the four regimes is presented. Finally, NP diffusion in polymer solutions, networks and on a periodic chain is studied; this provides insights into the relationship between polymer-nanoparticle interactions and NP diffusion"--

Brownian Dynamics Simulations of Flowing Isolated Polymer Molecules in Solution Near Surfaces

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Publisher :
ISBN 13 :
Total Pages : 294 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Brownian Dynamics Simulations of Flowing Isolated Polymer Molecules in Solution Near Surfaces by : Manish Chopra

Download or read book Brownian Dynamics Simulations of Flowing Isolated Polymer Molecules in Solution Near Surfaces written by Manish Chopra and published by . This book was released on 2001 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Polyelectrolyte Complexes in the Dispersed and Solid State I

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Publisher : Springer
ISBN 13 : 364240734X
Total Pages : 236 pages
Book Rating : 4.6/5 (424 download)

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Book Synopsis Polyelectrolyte Complexes in the Dispersed and Solid State I by : Martin Müller

Download or read book Polyelectrolyte Complexes in the Dispersed and Solid State I written by Martin Müller and published by Springer. This book was released on 2014-07-08 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Polymer Science enjoys a longstanding tradition and good reputation in its community. Each volume is dedicated to a current topic, and each review critically surveys one aspect of that topic, to place it within the context of the volume. The volumes typically summarize the significant developments of the last 5 to 10 years and discuss them critically, presenting selected examples, explaining and illustrating the important principles, and bringing together many important references of primary literature. On that basis, future research directions in the area can be discussed. Advances in Polymer Science volumes thus are important references for every polymer scientist, as well as for other scientists interested in polymer science - as an introduction to a neighboring field, or as a compilation of detailed information for the specialist.

Structure of Rigid Polymers Confined to Nanoparticles

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ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (982 download)

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Book Synopsis Structure of Rigid Polymers Confined to Nanoparticles by :

Download or read book Structure of Rigid Polymers Confined to Nanoparticles written by and published by . This book was released on 2016 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticles (NPs) grafted with organic layers form hybrids able to retain their unique properties through integration into the mesoscopic scale. The organic layer structure and response often determine the functionality of the hybrids on the mesoscopic length scale. Using molecular dynamics (MD) simulations, we probe the conformation of luminescent rigid polymers, dialkyl poly(p-phenylene ethynylene)s (PPE), end-grafted onto a silica nanoparticle in different solvents as the molecular weights and polymer coverages are varied. We find that, in contrast to NP-grafted flexible polymers, the chains are fully extended independent of the solvent. In toluene and decane, which are good solvents, the grafted PPEs chains assume a similar conformation to that observed in dilute solutions. In water, which is a poor solvent for the PPEs, the polymer chains form one large cluster but remain extended. The radial distribution of the chains around the core of the nanoparticle is homogeneous in good solvents, whereas in poor solvents clusters are formed independent of molecular weights and coverages. As a result, the clustering is distinctively different from the response of grafted flexible and semiflexible polymers.

On Brownian Dynamics Simulations of Concentrated Dispersions

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ISBN 13 : 9789090049922
Total Pages : 159 pages
Book Rating : 4.0/5 (499 download)

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Book Synopsis On Brownian Dynamics Simulations of Concentrated Dispersions by : Jan Marcel van der Veer

Download or read book On Brownian Dynamics Simulations of Concentrated Dispersions written by Jan Marcel van der Veer and published by . This book was released on 1992 with total page 159 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dynamics of Nanoparticles in Polymer Nanocomposites

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ISBN 13 :
Total Pages : 282 pages
Book Rating : 4.:/5 (11 download)

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Book Synopsis Dynamics of Nanoparticles in Polymer Nanocomposites by : Pooja Nath

Download or read book Dynamics of Nanoparticles in Polymer Nanocomposites written by Pooja Nath and published by . This book was released on 2018 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Calculation of the Vapor-liquid Coexistence of Polymer-grafted Nanoparticles

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Publisher :
ISBN 13 :
Total Pages : 81 pages
Book Rating : 4.:/5 (831 download)

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Book Synopsis Calculation of the Vapor-liquid Coexistence of Polymer-grafted Nanoparticles by : Siladitya Mukherjee

Download or read book Calculation of the Vapor-liquid Coexistence of Polymer-grafted Nanoparticles written by Siladitya Mukherjee and published by . This book was released on 2013 with total page 81 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Soft Nanoparticles for Biomedical Applications

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Publisher : Royal Society of Chemistry
ISBN 13 : 1782625216
Total Pages : 411 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Soft Nanoparticles for Biomedical Applications by : José Callejas-Fernández

Download or read book Soft Nanoparticles for Biomedical Applications written by José Callejas-Fernández and published by Royal Society of Chemistry. This book was released on 2014-06-18 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticles are attractive for many biomedical applications such as imaging, therapeutics and diagnostics. This new book looks at different soft nanoparticles and their current and potential uses in medicine and health including magnetoliposomes, micro/nanogels, polymeric micelles, DNA particles, dendrimers and bicelles. Each chapter provides a description of the synthesis of the particles and focus on the techniques used to characterize the size, shape, surface charge, internal structure, and surface microstructure of the nanoparticles together with modeling and simulation methods. By giving a strong physical-chemical approach to the topic, readers will gain a good background into the subject and an overview of recent developments. The multidisciplinary point of view makes the book suitable for postgraduate students and researchers in physics, chemistry, and biology interested in soft matter and its uses.

Colloidal Magnetic Fluids

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Publisher : Springer
ISBN 13 : 3540853871
Total Pages : 430 pages
Book Rating : 4.5/5 (48 download)

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Book Synopsis Colloidal Magnetic Fluids by : Stefan Odenbach

Download or read book Colloidal Magnetic Fluids written by Stefan Odenbach and published by Springer. This book was released on 2009-04-20 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research into the fascinating properties and applications of magnetic fluids - also called ferrofluids - is rapidly growing, making it necessary to provide, at regular intervals, a coherent and tutorial account of the combined theoretical and experimental advances in the field. This volume is an outgrow of seven years of research by some 30 interdisciplinary groups of scientists: theoretical physicists describing the behaviour of such complex fluids, chemical engineers synthesizing nanosize magnetic particles, experimentalist measuring the fluid properties and mechanical engineers exploring the many applications such fluids offer, in turn providing application-guided feedback to the modellers and requests for the preparation of new fluid types to chemists, in particular those providing optimum response to given magnetic field configurations. Moreover, recent developments towards biomedical applications widens this spectrum to include medicine and pharmacology. Consisting of six large chapters on synthesis and characterization, thermo- and electrodynamics, surface instabilities, structure and rheology, biomedical applications as well as engineering and technical applications, this work is both a unique source of reference for anyone working in the field and a suitable introduction for newcomers to the field.

Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites

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Publisher : John Wiley & Sons
ISBN 13 : 1119653649
Total Pages : 322 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites by : Sumit Sharma

Download or read book Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites written by Sumit Sharma and published by John Wiley & Sons. This book was released on 2021-03-09 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn to model your own problems for predicting the properties of polymer-based composites Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites: Nanoscale to Continuum Simulations provides readers with a thorough and up-to-date overview of nano, micro, and continuum approaches for the multiscale modeling of polymer-based composites. Covering nanocomposite development, theoretical models, and common simulation methods, the text includes a variety of case studies and scripting tutorials that enable readers to apply and further develop the supplied simulations. The book describes the foundations of molecular dynamics and continuum mechanics methods, guides readers through the basic steps required for multiscale modeling of any material, and correlates the results between the experimental and theoretical work performed. Focused primarily on nanocomposites, the methods covered in the book are applicable to various other materials such as carbon nanotubes, polymers, metals, and ceramics. Throughout the book, readers are introduced to key topics of relevance to nanocomposite materials and structures—supported by journal articles that discuss recent developments in modeling techniques and in the prediction of mechanical and thermal properties. This timely, highly practical resource: Explains the molecular dynamics (MD) simulation procedure for nanofiber and nanoparticle reinforced polymer composites Compares results of experimental and theoretical results from mechanical models at different length scales Covers different types of fibers and matrix materials that constitute composite materials, including glass, boron, carbon, and Kevlar Reviews models that predict the stiffness of short-fiber composites, including the self-consistent model for finite-length fibers, bounding models, and the Halpin-Tsai equation Describes various molecular modeling methods such as Monte Carlo, Brownian dynamics, dissipative particle dynamics, and lattice Boltzmann methods Highlights the potential of nanocomposites for defense and space applications Perfect for materials scientists, materials engineers, polymer scientists, and mechanical engineers, Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites is also a must-have reference for computer simulation scientists seeking to improve their understanding of reinforced polymer nanocomposites.

A Brownian Dynamics Simulation of Colloidal Dispersions

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Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (115 download)

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Book Synopsis A Brownian Dynamics Simulation of Colloidal Dispersions by : Stephen A. Tutt

Download or read book A Brownian Dynamics Simulation of Colloidal Dispersions written by Stephen A. Tutt and published by . This book was released on 1982 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Journal of Rheology

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Publisher :
ISBN 13 :
Total Pages : 680 pages
Book Rating : 4.6/5 (937 download)

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Book Synopsis Journal of Rheology by :

Download or read book Journal of Rheology written by and published by . This book was released on 2005 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Polymer Nanoparticles and Nanoparticle Arrays

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Publisher :
ISBN 13 :
Total Pages : 254 pages
Book Rating : 4.3/5 (129 download)

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Book Synopsis Polymer Nanoparticles and Nanoparticle Arrays by : Jiwu Liu

Download or read book Polymer Nanoparticles and Nanoparticle Arrays written by Jiwu Liu and published by . This book was released on 2009 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: