Polymerization of Low-Entangled Ultrahigh Molecular Weight Polyethylene: Analytical Model and Computer Simulations

We developed a theoretical model of linear ultrahigh molecular weight polyethylene (UHMWPE) homogeneous polymerization. We considered polymerization to be living and occurring in a poor solvent. We...

[1]  D. Theodorou,et al.  Atomistic simulations of long-chain polyethylene melts flowing past gold surfaces: structure and wall-slip , 2020 .

[2]  Gregory C. Rutledge,et al.  A slip-link model for rheology of entangled polymer melts with crystallization , 2020 .

[3]  A. Chertovich,et al.  Towards the realistic computer model of precipitation polymerization microgels , 2019, Scientific Reports.

[4]  J. Genzer,et al.  Computer Simulation of Surface‐Initiated Controlled Radical Polymerization: Effect of Free‐Monomer Model on Brush Properties , 2019, Macromolecular Theory and Simulations.

[5]  G. Rutledge,et al.  All-atomic and coarse-grained molecular dynamics investigation of deformation in semi-crystalline lamellar polyethylene , 2018, Polymer.

[6]  S. Sazer,et al.  The biology and polymer physics underlying large‐scale chromosome organization , 2017, Traffic.

[7]  Gregory C. Rutledge,et al.  Ultrafine high performance polyethylene fibers , 2017, Journal of Materials Science.

[8]  G. Rutledge,et al.  50th Anniversary Perspective: Advanced Polymer Fibers: High Performance and Ultrafine , 2017 .

[9]  A. Chertovich,et al.  Complex Curing Pathways and Their Influence on the Phthalonitrile Resin Hardening and Elasticity , 2017 .

[10]  D. Theodorou,et al.  Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations , 2017 .

[11]  D. Theodorou,et al.  Equation of state based slip spring model for entangled polymer dynamics , 2017, 1703.08983.

[12]  In-Chul Yeh,et al.  Molecular Dynamics Simulation of the Effects of Layer Thickness and Chain Tilt on Tensile Deformation Mechanisms of Semicrystalline Polyethylene , 2017 .

[13]  A. Chertovich,et al.  Copolymerization of Partly Incompatible Monomers: An Insight from Computer Simulations , 2016, 1612.02940.

[14]  A. Balazs,et al.  Modeling free radical polymerization using dissipative particle dynamics , 2015 .

[15]  F. Rousset,et al.  Mechanisms of Chain Reentanglement during the Sintering of UHMWPE Nascent Powder: Effect of Molecular Weight , 2015 .

[16]  Pavel G. Khalatur,et al.  Thermal Properties and Topology of Epoxy Networks: A Multiscale Simulation Methodology , 2015 .

[17]  Gregory C. Rutledge,et al.  Molecular Dynamics Simulation of Homogeneous Crystal Nucleation in Polyethylene , 2013 .

[18]  Yefeng Yao,et al.  Unprecedented High-Modulus High-Strength Tapes and Films of Ultrahigh Molecular Weight Polyethylene via Solvent-Free Route , 2011 .

[19]  S. Rastogi,et al.  Heterogeneity in the Distribution of Entanglement Density during Polymerization in Disentangled Ultrahigh Molecular Weight Polyethylene , 2011 .

[20]  A. V. Berezkin,et al.  Simulation of End-Coupling Reactions at a Polymer-Polymer Interface: The Mechanism of Interfacial Roughness Development , 2011 .

[21]  J. Genzer,et al.  Computer Simulation of Controlled Radical Polymerization: Effect of Chain Confinement Due to Initiator Grafting Density and Solvent Quality in “Grafting From” Method , 2010 .

[22]  Jens-Uwe Sommer,et al.  Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization , 2009, Comput. Phys. Commun..

[23]  M. Bajaj,et al.  Brownian dynamics simulation of polymer collapse in a poor solvent: influence of implicit hydrodynamic interactions. , 2008, Soft matter.

[24]  Doros N. Theodorou,et al.  Topological Analysis of Linear Polymer Melts: A Statistical Approach , 2006 .

[25]  Robert Graf,et al.  Heterogeneity in polymer melts from melting of polymer crystals , 2005, Nature materials.

[26]  Martin Kröger,et al.  Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems , 2005, Comput. Phys. Commun..

[27]  Kurt Kremer,et al.  Rheology and Microscopic Topology of Entangled Polymeric Liquids , 2004, Science.

[28]  L. G. Leal,et al.  Definitions of entanglement spacing and time constants in the tube model , 2003 .

[29]  V. Rostiashvili,et al.  Collapse or swelling dynamics of homopolymer rings: Self-consistent Hartree approach. , 2002, cond-mat/0206583.

[30]  Tom C. B. McLeish,et al.  Quantitative Theory for Linear Dynamics of Linear Entangled Polymers , 2002 .

[31]  H. Terao,et al.  Fluorine- and trimethylsilyl-containing phenoxy--imine Ti complex for highly syndiotactic living polypropylenes with extremely high melting temperatures. , 2002, Journal of the American Chemical Society.

[32]  T. Nakano,et al.  Living polymerization of ethylene catalyzed by titanium complexes having fluorine-containing phenoxy-imine chelate ligands. , 2002, Journal of the American Chemical Society.

[33]  Florian Müller-Plathe,et al.  Formation of Chain-Folded Structures in Supercooled Polymer Melts Examined by MD Simulations , 2002 .

[34]  U. Florida,et al.  Collapse dynamics of a polymer chain: Theory and simulation , 2001, cond-mat/0110491.

[35]  Y. Kuznetsov,et al.  Equilibrium and kinetic phenomena in a stiff homopolymer and possible applications to DNA , 1996 .

[36]  H. Orland,et al.  DYNAMICS OF THE SWELLING OR COLLAPSE OF A HOMOPOLYMER , 1996, cond-mat/9610113.

[37]  Y. Kuznetsov,et al.  Kinetic laws at the collapse transition of a homopolymer , 1996 .

[38]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .

[39]  S. Edwards.  The size of a polymer molecule in a strong solution , 1975 .

[40]  L. Mandelkern,et al.  The Glass Temperature of Linear Polyethylene , 1970 .

[41]  Paul J. Flory,et al.  The Configuration of Real Polymer Chains , 1949 .