<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Karyappa, Rahul B.</style></author><author><style face="normal" font="default" size="100%">Natarajan, Upendra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Monte carlo simulations of chain dimensions and conformational properties of various poly(n-alkyl methacrylates) in solution</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Macromolecular Science Part B-Physics</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">chain dimensions</style></keyword><keyword><style  face="normal" font="default" size="100%">Monte Carlo simulation</style></keyword><keyword><style  face="normal" font="default" size="100%">polymethacrylate</style></keyword><keyword><style  face="normal" font="default" size="100%">theta solvent</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2008</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">6</style></number><publisher><style face="normal" font="default" size="100%">TAYLOR &amp; FRANCIS INC</style></publisher><pub-location><style face="normal" font="default" size="100%">325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA</style></pub-location><volume><style face="normal" font="default" size="100%">47</style></volume><pages><style face="normal" font="default" size="100%">1075-1086</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Rotational Isomeric State (RIS) Metropolis Monte Carlo (RMMC) simulations of the conformational properties and chain dimensions of a series of chemically different poly(n-alkyl methacrylates) including poly(methyl methacrylate), poly(n-butyl methacrylate), poly(n-hexyl methacrylate), and poly(phenyl methacrylate), in the theta state were investigated, and (r(2)/M)(1/2), (s(2)/M)(1/2) and C(n) were calculated and compared in order to obtain fundamental understanding of the influence of the chemical structure. Simulations were conducted for different molecular weights. Results obtained from the simulations are compared with experimentally obtained dimensions in the literature using the Mark-Houwink relationship as well as, in some cases, data available from direct determinations in theta solvents. Good agreement between simulation and experimental data was obtained. The backbone conformation is predominantly trans in these polymers. Increase in bulkiness and rigidity of the substituting acrylate side group results in an increase in trans and a decrease in gauche backbone conformer population. In the case of rotatable bonds in the side-group structure, increase in rigidity of the side group leads to a decrease in the trans population, although this effect is not uniformly observed.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">0.602</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Iyer, Balaj V. S.</style></author><author><style face="normal" font="default" size="100%">Shanbhag, Sachin</style></author><author><style face="normal" font="default" size="100%">Juvekar, Vinay A.</style></author><author><style face="normal" font="default" size="100%">Lele, Ashish K.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Self-diffusion coefficient of ring polymers in semidilute solution</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Polymer Science Part B-Polymer Physics</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Diffusion</style></keyword><keyword><style  face="normal" font="default" size="100%">Macrocycles</style></keyword><keyword><style  face="normal" font="default" size="100%">Monte Carlo simulation</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2008</style></year><pub-dates><date><style  face="normal" font="default" size="100%">NOV</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">21</style></number><publisher><style face="normal" font="default" size="100%">WILEY-BLACKWELL</style></publisher><pub-location><style face="normal" font="default" size="100%">COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA</style></pub-location><volume><style face="normal" font="default" size="100%">46</style></volume><pages><style face="normal" font="default" size="100%">2370-2379</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;In a topologically constraining environment the size of a flexible nonconcatenated ring polymer (macrocycles) and its dynamics are known to differ from that of linear polymers. Hence, the diffusion coefficient of ring polymers can be expected to be different from linear chains. We present here scaling arguments for the concentration and molecular weight dependence of self-diffusion coefficient of ring polymers in semidilute solutions, and show that contrary to expectations these scaling relations are identical to what is known for linear polymers. At higher concentrations excluded volume interactions arising from possibilities of segmental overlap can become effective for large ring polymers. In this regime the diffusion coefficient of large ring polymers shows a relatively weaker dependence on concentration and molecular weight. (C) 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 2370-2379, 2008&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">21</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">1.298</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Karyappa, Rahul B.</style></author><author><style face="normal" font="default" size="100%">Natarajan, Upendra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular simulations of the conformational properties of atactic poly(2-ethylbutyl methacrylate)</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Applied Polymer Science</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">chain dimensions</style></keyword><keyword><style  face="normal" font="default" size="100%">conformations</style></keyword><keyword><style  face="normal" font="default" size="100%">Monte Carlo simulation</style></keyword><keyword><style  face="normal" font="default" size="100%">poly(2-ethylbutyl methacrylate)</style></keyword><keyword><style  face="normal" font="default" size="100%">vinyl polymer</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2012</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">2</style></number><publisher><style face="normal" font="default" size="100%">WILEY-BLACKWELL</style></publisher><pub-location><style face="normal" font="default" size="100%">111 RIVER ST, HOBOKEN 07030-5774, NJ USA</style></pub-location><volume><style face="normal" font="default" size="100%">125</style></volume><pages><style face="normal" font="default" size="100%">1586-1591</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;RIS Metropolis Monte Carlo (RMMC) simulations were used to determine the unperturbed theta-state chain dimensions of atactic stereoconfigurations of poly (2-ethylbutyl methacrylate) [PEBMA]. Root mean-squared end-to-end distance (&amp;lt; r(2)&amp;gt;(o)/M)(1/2) and characteristic ratio (Cn) were calculated along with the backbone torsion angle distribution. The simulated properties are in very good agreement with experimental results. The values of the PEBMA chain dimensions are in-between those corresponding ones for poly(n-butyl methacrylate) and poly (n-hexyl methacrylate) thereby showing the effect of branching in the side-chain. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">1.395
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