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Title: Advances in the generalized entropy theory of glass-formation in polymer melts

Authors:
 [1];  [2];  [1]
  1. The James Franck Institute and The Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA
  2. Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1226619
Grant/Contract Number:  
SC0008631
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 141 Journal Issue: 23; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Dudowicz, Jacek, Douglas, Jack F., and Freed, Karl F. Advances in the generalized entropy theory of glass-formation in polymer melts. United States: N. p., 2014. Web. doi:10.1063/1.4903842.
Dudowicz, Jacek, Douglas, Jack F., & Freed, Karl F. Advances in the generalized entropy theory of glass-formation in polymer melts. United States. doi:10.1063/1.4903842.
Dudowicz, Jacek, Douglas, Jack F., and Freed, Karl F. Thu . "Advances in the generalized entropy theory of glass-formation in polymer melts". United States. doi:10.1063/1.4903842.
@article{osti_1226619,
title = {Advances in the generalized entropy theory of glass-formation in polymer melts},
author = {Dudowicz, Jacek and Douglas, Jack F. and Freed, Karl F.},
abstractNote = {},
doi = {10.1063/1.4903842},
journal = {The Journal of Chemical Physics},
number = 23,
volume = 141,
place = {United States},
year = {2014},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.4903842

Citation Metrics:
Cited by: 12 works
Citation information provided by
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Works referenced in this record:

Adam–Gibbs model for the supercooled dynamics in the ortho-terphenyl ortho-phenylphenol mixture
journal, June 2004

  • Roland, C. M.; Capaccioli, S.; Lucchesi, M.
  • The Journal of Chemical Physics, Vol. 120, Issue 22
  • DOI: 10.1063/1.1739394

The Role of Chain Length in Nonergodicity Factor and Fragility of Polymers
journal, November 2010

  • Dalle-Ferrier, Cécile; Niss, Kristine; Sokolov, Alexei P.
  • Macromolecules, Vol. 43, Issue 21
  • DOI: 10.1021/ma101622f

Dynamics at the solid-liquid transition: Experiments at the freezing point
journal, September 1987


Two glass transitions in miscible polymer blends?
journal, June 2014

  • Dudowicz, Jacek; Douglas, Jack F.; Freed, Karl F.
  • The Journal of Chemical Physics, Vol. 140, Issue 24
  • DOI: 10.1063/1.4884123

Melting, freezing and colloidal suspensions
journal, February 1994


Dynamic and thermodynamic properties of glass-forming substances
journal, September 2000


Self-Concentrations and Effective Glass Transition Temperatures in Polymer Blends
journal, July 2000

  • Lodge, Timothy P.; McLeish, Thomas C. B.
  • Macromolecules, Vol. 33, Issue 14
  • DOI: 10.1021/ma9921706

Influence of Cohesive Energy and Chain Stiffness on Polymer Glass Formation
journal, September 2014

  • Xu, Wen-Sheng; Freed, Karl F.
  • Macromolecules, Vol. 47, Issue 19
  • DOI: 10.1021/ma501581u

Multidimensional geometric aspects of the solid–liquid transition in simple substances
journal, October 1985

  • LaViolette, Randall A.; Stillinger, Frank H.
  • The Journal of Chemical Physics, Vol. 83, Issue 8
  • DOI: 10.1063/1.449826

The Lindemann and Grüneisen Laws
journal, April 1956


The Glass Transition Temperature of Polymer Melts
journal, November 2005

  • Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 45
  • DOI: 10.1021/jp0523266

Two DSC Glass Transitions in Miscible Blends of Polyisoprene/Poly(4- tert -butylstyrene)
journal, September 2009

  • Zhao, Junshu; Ediger, M. D.; Sun, Ye
  • Macromolecules, Vol. 42, Issue 17
  • DOI: 10.1021/ma9008516

Entropy theory of polymer glass formation revisited. I. General formulation
journal, February 2006

  • Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
  • The Journal of Chemical Physics, Vol. 124, Issue 6
  • DOI: 10.1063/1.2166391

The Statistical Mechanical Theory of Solutions. I
journal, June 1951

  • Kirkwood, John G.; Buff, Frank P.
  • The Journal of Chemical Physics, Vol. 19, Issue 6
  • DOI: 10.1063/1.1748352

Molecular Formulation of Thermodynamic Functions Encountered in Solution Theory
journal, March 1955

  • Buff, Frank P.; Brout, Robert
  • The Journal of Chemical Physics, Vol. 23, Issue 3
  • DOI: 10.1063/1.1742010

Chain Stiffness and the Lattice Theory of Polymer Phases
journal, May 1958

  • DiMarzio, E. A.; Gibbs, J. H.
  • The Journal of Chemical Physics, Vol. 28, Issue 5
  • DOI: 10.1063/1.1744275

Surface Tension and Melt Cohesive Energy Density of Polymer Melts Including High Melting and High Glass Transition Polymers
journal, August 2002

  • Sauer, Bryan B.; Dee, Gregory T.
  • Macromolecules, Vol. 35, Issue 18
  • DOI: 10.1021/ma0202437

Thermodynamic aspects of the glass transition in liquids and plastic crystals
journal, January 1991


Two calorimetric glass transitions do not necessarily indicate immiscibility: The case of PEO/PMMA
journal, January 2006

  • Lodge, Timothy P.; Wood, Elizabeth R.; Haley, Jeffrey C.
  • Journal of Polymer Science Part B: Polymer Physics, Vol. 44, Issue 4
  • DOI: 10.1002/polb.20735

Molecular Weight Dependence of Fragility in Polystyrene
journal, July 1998

  • Santangelo, P. G.; Roland, C. M.
  • Macromolecules, Vol. 31, Issue 14
  • DOI: 10.1021/ma971823k

Nature of the Glass Transition in Polymers
journal, July 1956

  • Gibbs, Julian H.
  • The Journal of Chemical Physics, Vol. 25, Issue 1
  • DOI: 10.1063/1.1742830

Thermodynamic and structural aspects of the potential energy surface of simulated water
journal, March 2001


Direct computation of characteristic temperatures and relaxation times for glass-forming polymer liquids
journal, September 2005

  • Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
  • The Journal of Chemical Physics, Vol. 123, Issue 11
  • DOI: 10.1063/1.2035087

The Nature of the Glassy State and the Behavior of Liquids at Low Temperatures.
journal, October 1948


Glass temperature of copolymers
journal, October 1959


On the validity of the Gibbs–diMarzio theory of the glass transition of lattice polymers
journal, December 1991

  • Wittmann, Hans‐Peter
  • The Journal of Chemical Physics, Vol. 95, Issue 11
  • DOI: 10.1063/1.461274

Correlations for diffusion constants
journal, August 1980


Configurational entropy and diffusion in a hard disc fluid
journal, May 2001

  • Speedy, Robin J.
  • The Journal of Chemical Physics, Vol. 114, Issue 20
  • DOI: 10.1063/1.1367386

Current Status of Transition-State Theory
journal, January 1996

  • Truhlar, Donald G.; Garrett, Bruce C.; Klippenstein, Stephen J.
  • The Journal of Physical Chemistry, Vol. 100, Issue 31
  • DOI: 10.1021/jp953748q

Glass transition temperature and molecular parameters of polymer
journal, January 1991


String model for the dynamics of glass-forming liquids
journal, May 2014

  • Pazmiño Betancourt, Beatriz A.; Douglas, Jack F.; Starr, Francis W.
  • The Journal of Chemical Physics, Vol. 140, Issue 20
  • DOI: 10.1063/1.4878502

On the Temperature Dependence of Cooperative Relaxation Properties in Glass‐Forming Liquids
journal, July 1965

  • Adam, Gerold; Gibbs, Julian H.
  • The Journal of Chemical Physics, Vol. 43, Issue 1
  • DOI: 10.1063/1.1696442

Fragility of Polymeric Liquids: Correlations between Thermodynamic and Dynamic Properties
journal, January 1996


Crossover region of dynamic glass transition: general trends and individual aspects
journal, February 2001


Glass transition in hard disc mixtures
journal, March 1999

  • Speedy, Robin J.
  • The Journal of Chemical Physics, Vol. 110, Issue 9
  • DOI: 10.1063/1.478337

Configurational entropy of hard spheres
journal, June 2007


Novel approach to numerical measurements of the configurational entropy in supercooled liquids
journal, July 2014

  • Berthier, L.; Coslovich, D.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 32
  • DOI: 10.1073/pnas.1407934111

Inherent Structure Entropy of Supercooled Liquids
journal, October 1999


Dynamics and configurational entropy in the Lewis-Wahnström model for supercooled orthoterphenyl
journal, April 2002


Chemical structure and intermolecular cooperativity: dielectric relaxation results
journal, December 1993


Compositional Dependence of Segmental Dynamics in a Miscible Polymer Blend
journal, September 1994

  • Chung, G. -C.; Kornfield, J. A.; Smith, S. D.
  • Macromolecules, Vol. 27, Issue 20
  • DOI: 10.1021/ma00098a030

Entropy of glassy polymer melts: Comparison between Gibbs-DiMarzio theory and simulation
journal, August 1996


Fragility of Glass-Forming Polymer Liquids
journal, November 2005

  • Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 45
  • DOI: 10.1021/jp053693k

Analysis of Recent Measurements of the Viscosity of Glasses
journal, June 1925


Role of Chemical Structure in Fragility of Polymers: A Qualitative Picture
journal, October 2008

  • Kunal, Kumar; Robertson, Christopher G.; Pawlus, Sebastian
  • Macromolecules, Vol. 41, Issue 19, p. 7232-7238
  • DOI: 10.1021/ma801155c

Lattice model of equilibrium polymerization. IV. Influence of activation, chemical initiation, chain scission and fusion, and chain stiffness on polymerization and phase separation
journal, December 2003

  • Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
  • The Journal of Chemical Physics, Vol. 119, Issue 23
  • DOI: 10.1063/1.1625642

Fragilities of liquids predicted from the random first order transition theory of glasses
journal, March 2000

  • Xia, X.; Wolynes, P. G.
  • Proceedings of the National Academy of Sciences, Vol. 97, Issue 7
  • DOI: 10.1073/pnas.97.7.2990

Empirical Relations of Thermodynamic ``Constants'' to the Activation Parameters of Polymer Relaxations
journal, December 1962

  • Eby, R. K.
  • The Journal of Chemical Physics, Vol. 37, Issue 12
  • DOI: 10.1063/1.1733106

Breakdown of the Stokes-Einstein relation in two, three, and four dimensions
journal, March 2013

  • Sengupta, Shiladitya; Karmakar, Smarajit; Dasgupta, Chandan
  • The Journal of Chemical Physics, Vol. 138, Issue 12
  • DOI: 10.1063/1.4792356

Communication: Towards first principles theory of relaxation in supercooled liquids formulated in terms of cooperative motion
journal, October 2014

  • Freed, Karl F.
  • The Journal of Chemical Physics, Vol. 141, Issue 14
  • DOI: 10.1063/1.4897973

Dynamics of glass-forming liquids. V. On the link between molecular dynamics and configurational entropy
journal, June 1998

  • Richert, R.; Angell, C. A.
  • The Journal of Chemical Physics, Vol. 108, Issue 21
  • DOI: 10.1063/1.476348

The relationship of dynamical heterogeneity to the Adam-Gibbs and random first-order transition theories of glass formation
journal, March 2013

  • Starr, Francis W.; Douglas, Jack F.; Sastry, Srikanth
  • The Journal of Chemical Physics, Vol. 138, Issue 12
  • DOI: 10.1063/1.4790138

Concentration fluctuations in miscible polymer blends: Influence of temperature and chain rigidity
journal, May 2014

  • Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
  • The Journal of Chemical Physics, Vol. 140, Issue 19
  • DOI: 10.1063/1.4875345

The glass transition in athermal poly(α-methyl styrene)/oligomer blends
journal, January 2008

  • Zheng, Wei; Simon, Sindee L.
  • Journal of Polymer Science Part B: Polymer Physics, Vol. 46, Issue 4
  • DOI: 10.1002/polb.21379

Dynamic Heterogeneity in Fully Miscible Blends of Polystyrene with Oligostyrene
journal, April 2013


A thermodynamic connection to the fragility of glass-forming liquids
journal, April 2001

  • Martinez, L. -M.; Angell, C. A.
  • Nature, Vol. 410, Issue 6829
  • DOI: 10.1038/35070517

Does equilibrium polymerization describe the dynamic heterogeneity of glass-forming liquids?
journal, October 2006

  • Douglas, Jack F.; Dudowicz, Jacek; Freed, Karl F.
  • The Journal of Chemical Physics, Vol. 125, Issue 14
  • DOI: 10.1063/1.2356863

Die Abhängigkeit der Viscosität von der Temperatur bie unterkühlten Flüssigkeiten
journal, October 1926

  • Tammann, G.; Hesse, W.
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 156, Issue 1
  • DOI: 10.1002/zaac.19261560121

Plasticization and antiplasticization of polymer melts diluted by low molar mass species
journal, February 2010

  • Stukalin, Evgeny B.; Douglas, Jack F.; Freed, Karl F.
  • The Journal of Chemical Physics, Vol. 132, Issue 8
  • DOI: 10.1063/1.3304738

Equilibrium Theory of Glasses
journal, October 1981


Application of the entropy theory of glass formation to poly(α-olefins)
journal, September 2009

  • Stukalin, Evgeny B.; Douglas, Jack F.; Freed, Karl F.
  • The Journal of Chemical Physics, Vol. 131, Issue 11
  • DOI: 10.1063/1.3216109

Lattice cluster theory for polymer melts with specific interactions
journal, July 2014

  • Xu, Wen-Sheng; Freed, Karl F.
  • The Journal of Chemical Physics, Vol. 141, Issue 4
  • DOI: 10.1063/1.4890959

Free energy and configurational entropy of liquid silica: Fragile-to-strong crossover and polyamorphism
journal, April 2004


Temperature dependence of the configurational entropy of undercooled melts and the nature of glass transition
journal, November 1982


Glass formation from low molecular weight organic melts
journal, August 1995

  • Kim, Seong-Jin; Karis, T. E.
  • Journal of Materials Research, Vol. 10, Issue 8
  • DOI: 10.1557/JMR.1995.2128