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Viscoelastic properties of polybutad...

Byutner, Oleksiy.

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Viscoelastic properties of polybutadiene: Combination of theory and molecular dynamics simulations.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Viscoelastic properties of polybutadiene: Combination of theory and molecular dynamics simulations./
Author:	Byutner, Oleksiy.
Description:	46 p.
Notes:	Source: Dissertation Abstracts International, Volume: 66-11, Section: B, page: 6209.
Contained By:	Dissertation Abstracts International66-11B.
Subject:	Engineering, Materials Science. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3194804
ISBN:	9780542397769

Viscoelastic properties of polybutadiene: Combination of theory and molecular dynamics simulations.
Byutner, Oleksiy.

Viscoelastic properties of polybutadiene: Combination of theory and molecular dynamics simulations. - 46 p.

Source: Dissertation Abstracts International, Volume: 66-11, Section: B, page: 6209.

Thesis (Ph.D.)--The University of Utah, 2005.

In this work the description of a methodology that allows accurate calculation of viscoelastic properties of polymers using combinations of the molecular theories and computer simulations is presented. This methodology includes molecular dynamics simulations and atomic trajectory analysis of relatively short polymer oligomers, while molecular theories extend and extrapolate properties to highly entangled long chain regime, on time and length scales many orders of magnitude larger than are directly accessible to computer simulations.

ISBN: 9780542397769Subjects--Topical Terms:

1017759
Engineering, Materials Science.

Viscoelastic properties of polybutadiene: Combination of theory and molecular dynamics simulations.
LDR:02200nmm 2200289 4500 001 1824936
005 20061201084434.5
008 130610s2005 eng d
020 $a 9780542397769
035 $a (UnM)AAI3194804
035 $a AAI3194804
040 $a UnM $c UnM
100 1 $a Byutner, Oleksiy. $3 1913966
245 1 0 $a Viscoelastic properties of polybutadiene: Combination of theory and molecular dynamics simulations.
300 $a 46 p.
500 $a Source: Dissertation Abstracts International, Volume: 66-11, Section: B, page: 6209.
500 $a Adviser: Grant D. Smith.
502 $a Thesis (Ph.D.)--The University of Utah, 2005.
520 $a In this work the description of a methodology that allows accurate calculation of viscoelastic properties of polymers using combinations of the molecular theories and computer simulations is presented. This methodology includes molecular dynamics simulations and atomic trajectory analysis of relatively short polymer oligomers, while molecular theories extend and extrapolate properties to highly entangled long chain regime, on time and length scales many orders of magnitude larger than are directly accessible to computer simulations.
520 $a In order to validate new methodology, polybutadiene was chosen as a sample material. Complex shear stress modulus, viscosity and temperature dependence of the shift factor were calculated for high molecular weight polymer utilizing three molecular models of viscoelasticity. Predicted viscoelastic properties of the polybutadiene were then compared with available experiment measurements. Very good quality of agreement for all predicted properties was demonstrated for one of the chosen models. As there is nothing special in this approach to polybutadiene, molecular dynamics simulations of similar quality for short chains of other polymers also can be expected to yield accurate viscoelastic properties using presented methodology.
590 $a School code: 0240.
650 4 $a Engineering, Materials Science. $3 1017759
650 4 $a Chemistry, Polymer. $3 1018428
690 $a 0794
690 $a 0495
710 2 0 $a The University of Utah. $3 1017410
773 0 $t Dissertation Abstracts International $g 66-11B.
790 1 0 $a Smith, Grant D., $e advisor
790 $a 0240
791 $a Ph.D.
792 $a 2005
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3194804