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Structural Relaxation and Vitrification in Dense Cross-Linked Polymer Networks: Simulation, Theory, and Experiment

Journal Article · · Macromolecules
 [1];  [2];  [1];  [3];  [3];  [4]
  1. Department of Materials Science, University of Illinois, Urbana, Illinois 61801, United States; Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801, United States
  2. Department of Chemical & Biomolecular Engineering, University of Illinois, Urbana, Illinois 61801, United States; Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801, United States
  3. Department of Materials Science, University of Illinois, Urbana, Illinois 61801, United States; Department of Chemical & Biomolecular Engineering, University of Illinois, Urbana, Illinois 61801, United States; Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801, United States
  4. Department of Materials Science, University of Illinois, Urbana, Illinois 61801, United States; Department of Chemistry, University of Illinois, Urbana, Illinois 61801, United States; Department of Chemical & Biomolecular Engineering, University of Illinois, Urbana, Illinois 61801, United States; Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801, United States

Not provided.

Research Organization:
Univ. of Illinois at Urbana-Champaign, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0020858
OSTI ID:
1978157
Journal Information:
Macromolecules, Vol. 55, Issue 10; ISSN 0024-9297
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (94)

Synthesis and light gas separations in cross-linked gemini room temperature ionic liquid polymer membranes journal May 2008
Crosslinked poly(ethylene oxide) fouling resistant coating materials for oil/water separation journal January 2008
Gas Separation Membrane Materials: A Perspective journal September 2014
Seven chemical separations to change the world journal April 2016
Diffusion and Mass Transfer book March 2013
50th Anniversary Perspective : Polymers and Mixed Matrix Membranes for Gas and Vapor Separation: A Review and Prospective Opportunities journal October 2017
Ultraselective glassy polymer membranes with unprecedented performance for energy-efficient sour gas separation journal May 2019
How the Shape and Chemistry of Molecular Penetrants Control Responsive Hydrogel Permeability journal December 2020
Statistical Mechanical Theory of Penetrant Diffusion in Polymer Melts and Glasses journal July 2016
Correlated matrix-fluctuation-mediated activated transport of dilute penetrants in glass-forming liquids and suspensions journal May 2017
Activated penetrant dynamics in glass forming liquids: size effects, decoupling, slaving, collective elasticity and correlation with matrix compressibility journal January 2021
Theory of the effect of external stress on the activated dynamics and transport of dilute penetrants in supercooled liquids and glasses journal August 2021
Dynamics of Nanoparticles in Polydisperse Polymer Networks: from Free Diffusion to Hopping journal September 2021
Understanding the Roles of Mesh Size, Tg, and Segmental Dynamics on Probe Diffusion in Dense Polymer Networks journal November 2021
Cooling rate dependence of the glass transition temperature of polymer melts: Molecular dynamics study journal October 2002
Tuning polymer melt fragility with antiplasticizer additives journal June 2007
The Glass Transition of a Single Macromolecule journal September 2016
Unified Theory of Activated Relaxation in Liquids over 14 Decades in Time journal October 2013
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. I. General formulation and application to hard sphere fluids journal May 2014
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. II. Thermal liquids journal May 2014
Experimental test of a predicted dynamics–structure–thermodynamics connection in molecularly complex glass-forming liquids journal April 2021
Dynamical Theory of Segmental Relaxation and Emergent Elasticity in Supercooled Polymer Melts journal March 2015
Experimental Tests of a Theoretically Predicted Noncausal Correlation between Dynamics and Thermodynamics in Glass-forming Polymer Melts journal October 2021
A complex plane analysis of α-dispersions in some polymer systems journal January 1966
S PATIALLY H ETEROGENEOUS D YNAMICS IN S UPERCOOLED L IQUIDS journal October 2000
Role of local structure on motions on the potential energy landscape for a model supercooled polymer journal May 2005
Nonlinear Creep in a Polymer Glass journal June 2008
Nature and interrelations of fast dynamic properties in a coarse-grained glass-forming polymer melt journal January 2011
The relationship between dynamic and pseudo-thermodynamic measures of the glass transition temperature in nanostructured materials journal May 2017
Dynamics of entangled linear polymer melts:  A molecular‐dynamics simulation journal April 1990
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
A unified formulation of the constant temperature molecular dynamics methods journal July 1984
Canonical dynamics: Equilibrium phase-space distributions journal March 1985
An extension of the canonical ensemble molecular dynamics method journal January 1986
Influence of the isomeric structures of butyl acrylate on its single-electron transfer-degenerative chain transfer living radical polymerization in water Catalyzed by Na2S2O4 journal October 2008
Is DNA a Good Model Polymer? journal October 2013
Bridging Simulation Length Scales of Bottlebrush Polymers Using a Wormlike Cylinder Model journal June 2019
Isostaticity and the solidification of semiflexible polymer melts journal January 2017
Fiber Network Formation in Semi-Flexible Polymer Solutions: An Exploratory Computational Study journal March 2018
Effect of Multiaxial Tensile Deformation on the Mechanical Properties of Semiflexible Polymeric Samples journal October 2019
The smectic phase in semiflexible polymer materials: A large scale molecular dynamics study journal August 2019
Glass transition and dynamics of semiflexible polymer brushes journal January 2021
Thickness-Dependent Mechanical Failure in Thin Films of Glassy Polymer Bidisperse Blends journal December 2021
Polymer Chain Shape of Poly(3-alkylthiophenes) in Solution Using Small-Angle Neutron Scattering journal February 2013
Communication: Polymer entanglement dynamics: Role of attractive interactions journal October 2016
A coarse-grained polymer model for studying the glass transition journal March 2019
The influence of the magnetic filler concentration on the properties of a microgel particle: Zero-field case journal August 2018
Computational investigation of microgels: synthesis and effect of the microstructure on the deswelling behavior journal January 2018
Development of a Coarse-Grained Model of Chitosan for Predicting Solution Behavior journal July 2016
Effect of Monomer Sequence and Degree of Acetylation on the Self-Assembly and Porosity of Chitosan Networks in Solution journal July 2016
Polymer Chemistry book January 2020
Glass Transition of Disentangled and Entangled Polymer Melts: Single-Chain-Nanoparticles Approach journal August 2020
Investigating the influence of different thermodynamic paths on the structural relaxation in a glass-forming polymer melt journal January 1999
Free Volume and Finite-Size Effects in a Polymer Glass under Stress journal November 2007
Influence of Backbone Rigidity on Nanoscale Confinement Effects in Model Glass-Forming Polymers journal June 2013
The microscopic origins of stretched exponential relaxation in two model glass-forming liquids as probed by simulations in the isoconfigurational ensemble journal December 2020
Origin of Mechanical Enhancement in Polymer Nanoparticle (NP) Composites with Ultrahigh NP Loading journal April 2020
Thermodynamics–Structure–Dynamics Correlations and Nonuniversal Effects in the Elastically Collective Activated Hopping Theory of Glass-Forming Liquids journal July 2020
Microscopic Theory of the Effect of Caging and Physical Bonding on Segmental Relaxation in Associating Copolymer Liquids journal May 2020
Nonuniversal Coupling of Cage Scale Hopping and Collective Elastic Distortion as the Origin of Dynamic Fragility Diversity in Glass-Forming Polymer Liquids journal December 2016
Entropic barriers, activated hopping, and the glass transition in colloidal suspensions journal July 2003
Derivation of a microscopic theory of barriers and activated hopping transport in glassy liquids and suspensions journal December 2005
Source of non-Arrhenius average relaxation time in glass-forming liquids journal August 1998
Colloquium : The glass transition and elastic models of glass-forming liquids journal September 2006
Brownian motion in a field of force and the diffusion model of chemical reactions journal April 1940
Reaction-rate theory: fifty years after Kramers journal April 1990
Integral equation theory of thermodynamics, pair structure, and growing static length scale in metastable hard sphere and Weeks-Chandler-Andersen fluids journal April 2020
Local structure of semiflexible polymer melts journal July 1990
Activated relaxation in supercooled monodisperse atomic and polymeric WCA fluids: Simulation and ECNLE theory journal March 2022
Ideal glass transitions, shear modulus, activated dynamics, and yielding in fluids of nonspherical objects journal January 2007
The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity journal June 2009
Theory of activated glassy dynamics in randomly pinned fluids journal February 2018
Nature of dynamic gradients, glass formation, and collective effects in ultrathin freestanding films journal July 2021
Theory of gelation, vitrification, and activated barrier hopping in mixtures of hard and sticky spheres journal February 2008
Long Wavelength Thermal Density Fluctuations in Molecular and Polymer Glass-Forming Liquids: Experimental and Theoretical Analysis under Isobaric Conditions journal November 2021
Relaxation in liquids, polymers and plastic crystals — strong/fragile patterns and problems journal June 1991
Influence of Crosslinking on the Molecular Relaxation of an Amorphous Copolymer Near Its Glass-Transition Temperature journal March 1994
Segmental Dynamics in Poly(methylphenylsiloxane) Networks by Dielectric Relaxation Spectroscopy journal April 1999
Constraints on Local Segmental Motion in Poly(vinylethylene) Networks journal July 1994
Influence of cross-linking on the segmental dynamics in model polymer networks journal July 2000
Viscoelastic Behavior of Poly(methyl methacrylate) Networks with Different Cross-Linking Degrees journal April 2004
Segmental Relaxation Characteristics of Cross-Linked Poly(ethylene oxide) Copolymer Networks journal November 2005
Cross-Linking Effect on Segmental Dynamics of Well-Defined Epoxy Resins journal June 2021
Segmental Relaxation in End-Linked Poly(dimethylsiloxane) Networks journal March 2002
Influence of molecular weight and degree of crosslinking on the specific volume and glass temperature of polymers journal February 1955
Crosslinked polymers. II. Glass temperatures of copolymers of methyl methacrylate and glycol dimethacrylates journal February 1955
Cross-Linking–Effect on Physical Properties of Polymers journal January 1969
Glass transition elevation of polystyrene by crosslinks journal November 1981
The heat capacity of solid and liquid polystyrene, p-substituted polystyrenes, and crosslinked polystyrenes journal December 1986
Correlation between glass transition temperature and chain structure for randomly crosslinked high polymers journal September 1996
Influence of Network Structure on Glass Transition Temperature of Elastomers journal July 2016
Second‐Order Transitions and Mesh Distribution Functions of Cross‐Linked Polystyrenes journal April 1950
Zur Theorie der Glastemperatur von Vernetzten Polymeren journal January 1967
A generalized theory for the glass transition temperature of crosslinked and uncrosslinked polymers journal August 1990