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Auswahl der wissenschaftlichen Literatur zum Thema „Polymer simulations“

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Dissertationen zum Thema "Polymer simulations"

1

Barakos, George. "Viscoelastic simulations in polymer processing." Thesis, University of Ottawa (Canada), 1994. http://hdl.handle.net/10393/6497.

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The scope of this thesis is the mathematical modelling and the numerical simulation of polymer processing. In recent years there has been considerable progress in understanding and modelling phenomena related to flow of polymer melts through polymer processing machinery. Much of the progress is due to the numerical solution of integral-type constitutive equations relating stress and deformation and representing the fading memory of these fluids. In this direction, an integral constitutive equation of the K-BKZ type has been used for simulating the extrusion of a Low-Density Polyethylene melt (IUPAC LDPE sample A). The influence of temperature has also been examined by performing a complete non-isothermal flow simulation. In addition, simulations have been performed for the well-known phenomenon of extrudate bending, when extrusion is performed through a flat die with walls kept at different temperatures. The simulations reveal that the combination of viscous and elastic phenomena result in a significant swelling of the extrudate characterized by a profound asymmetry. Finally, a comparison has been performed of different polyethylene melts based on the predictions of the model used. The results reveal the intense viscoelastic character of the LDPE and show clearly the importance of viscoelasticity in polymer processing. Moreover, they give a wealth of information about the influence of material properties on polymer behaviour during processing especially as far as vortex growth and extrudate swell diameter are concerned. (Abstract shortened by UMI.)
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2

Chakraborty, S. "Structural, dynamical properties of polymers and polymer composites from multiscale simulations." Thesis(Ph.D.), CSIR-National Chemical Laboratory, Pune, 2016. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2072.

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3

Consiglio, Armando. "Molecular dynamics simulations of conducting polymer nanocomposites." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2019. http://amslaurea.unibo.it/18454/.

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Among the conducting polymers, poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) is one of the most used materials in the field of bioelectronics due to its biocompatibility, chemical stability and high electronic as well as ionic charge transport mobilities. Despite many experimental findings, a microscopic understanding of the materials electronic properties is currently elusive; the main reason is the lack of structural atomistic data of the polymer blend, that is, difficult to obtain because of the disordered and nano-crystalline morphology. In this thesis work we develop and use Molecular Dynamics based methods to simulate the structure of PEDOT:PSS in presence of an interface, investigating how a surface and some physical quantities (temperature, water content and electric charge on PEDOT oligomers) would introduce order to the evolving structure, and pointing out the differences between interfacial and bulk behaviour. The results obtained by computer simulations are used to estimate experimentally accessible parameters and to compare them with already existing experimental data.
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4

Vliet, Johannes Henricus van. "Monte Carlo simulations of confined polymer systems." [S.l. : [Groningen : s.n.] ; University Library Groningen] [Host], 1991. http://irs.ub.rug.nl/ppn/293041210.

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5

Galuschko, André. "Molecular dynamics simulations of sheared polymer brushes." Strasbourg, 2010. https://publication-theses.unistra.fr/public/theses_doctorat/2010/GALUSCHKO_Andre_2010.pdf.

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6

Erguney, Fatih M. "COARSE-GRAINED MC SIMULATIONS OF POLYMER NANOCOMPOSITES." University of Akron / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=akron1176404164.

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7

Drewniak, Marta. "Computer Simulations of Dilute Polymer Solutions: Chain Overlaps and Entanglements." Thesis, University of North Texas, 1996. https://digital.library.unt.edu/ark:/67531/metadc278086/.

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Chain conformations and the presence of chain overlaps and entanglements in dilute polymer solutions have been analyzed. The fundamental problem of existence of chain overlaps in dilute solutions is related to the drag reduction phenomenon (DR). Even though DR occurs in solutions with the concentration of only few parts per million (ppm), some theories suggest that entanglements may play an important role in DR mechanism. Brownian dynamics technique have been used to perform simulations of dilute polymer solutions at rest and under shear flow. A measure of interchain contacts and two different measures of entanglements have been devised to evaluate the structure of polymer chains in solution. Simulation results have shown that overlaps and entanglements do exist in static dilute solutions as well as in solutions under shear flow. The effect of solution concentration, shear rate and molecular mass have been examined. In agreement with the solvation theory of DR mechanism, simulation results have demonstrated the importance of polymer + polymer interactions in dilute solutions.
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8

Eichinger, David Albert. "Non-Lattice Monte Carlo Simulations of Polymer Motion." W&M ScholarWorks, 1989. https://scholarworks.wm.edu/etd/1539625515.

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9

Ethier, Jeffrey. "Molecular Dynamics Simulations of Adsorbed Polymer-Grafted Nanoparticles." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1555426585455568.

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10

Karasawa, Naoki Goddard William A. Goddard William A. "Simulations of polymer crystals : new methods and applications /." Diss., Pasadena, Calif. : California Institute of Technology, 1992. http://resolver.caltech.edu/CaltechETD:etd-08062007-104316.

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