THE PHYSICS AND CHEMISTRY OF POLYMERS AND GLASSES

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Department of Chemical Engineering

 Journal Publications

  1. S. Y. Gao and S. L. Simon*, "The Reaction Kinetics of Cyclopentadiene Dimerization using Differential Scanning Calorimetry: Experiments and Modelling," Thermochimica Acta, 589, 241-246 (2014); http://dx.doi.org/10.1016/j.tca.2014.05.031
  2. Y. P. Koh and S. L. Simon*, "Enthalpy Recovery of Polystyrene: Does a Long-Term Aging Plateau Exist?" Macromolecules, 46 (14), 5815–5821 (2013); dx.doi.org/10.1021/ma4011236.
  3. H. Y. Zhao, Y. P. Koh, M. Pyda, S. Sen, S. L. Simon*, "The Kinetics of the Glass Transition and Physical Aging in Germanium Selenide Glasses," Journal of Non-Crystalline Solids, 368, 63 - 70 (2013); dx.doi.org/10.1016/j.jnoncrysol.2013.02.025.
  4. F. Begum, R. H. Sarker, S. L. Simon*, "Modeling Ring-Chain Equilibrium in Nanoconfined Sulfur," Journal of Physical Chemistry B, 117, 3911 - 3916 (2013); dx.doi.org/10.1021/jp400145n.
  5. J. Zhao, S. L. Simon, G. B. McKenna*, "Using 20 Million Year Old Amber to Test the Super-Arrhenius Behavior of Glass Forming Systems," Nature Communications, 4:1783/1-4 (2013); dx.doi.org/10.1038/ncomms2809; 6 citations.
  6. S. Y. Gao, Y. P. Koh, S. L. Simon*, "The Calorimetric Glass Transition of Single Polystyrene Ultrathin Films," Macromolecules, 46, 562 - 570 (2013); DOI: 10.1021/ma3020036.
  7. Y. P. Koh, M. N. Karim, S. L. Simon*, "Heterogeneous Reaction Kinetics of Epoxide-Functionalized Regenerated Cellulose Membrane and Aliphatic Amine," Thermochimica Acta, 543, 18 - 23 (2012); DOI: 10.1016/j.tca.2012.04.031.
  8. J. X. Guo, L. Grassia, and S. L. Simon*, "Bulk and Shear Rheology of a Symmetric Three-Arm Star Polystyrene," Journal of Polymer Science: Part B: Polymer Physics, 50 (17), 1233-1244, 2012; DOI: 10.1002/polb.23113.
  9. L. Grassia* and S. L. Simon, "Modeling Volume Relaxation of Amorphous Polymers: Modification of the Equation for the Relaxation Time in the KAHR Model," Polymer, 53 (16), 3613 - 3620 (2012); DOI: 10.1016/j.polymer.2012.06.013.
  10. F. Begum, H. Y. Zhao, and S. L. Simon, "Modeling Methyl Methacrylate Free Radical Polymerization: Reaction in Hydrophobic Nanopores," Polymer, 53 (15), 3261 - 3268 (2012); DOI: 10.1016/j.polymer.2012.04.036.
  11. F. Begum, H. Y. Zhao, and S. L. Simon, "Modeling Methyl Methacrylate Free Radical Polymerization: Reaction in Hydrophilic Nanopores," Polymer, 53 (15), 3238 - 3244 (2012); DOI: 10.1016/j.polymer.2012.05.023.
  12. Y. P. Koh and S. L. Simon*, "Crystallization and Vitrification of a Cyanurate Trimer in Nanopores," Journal of Physical Chemistry B, 116 (26), 7754 - 7761 (2012); DOI: 10.1021/jp303318e.
  13. J. X. Guo and S. L. Simon*, "Thermodynamic Scaling of Polymer Dynamics versus T - Tg Scaling," Journal of Chemical Physics, 135, 074901 (2011); DOI: 10.1063/1.3624903.
  14. H. Y. Zhao and S. L. Simon*, "Methyl Methacrylate Polymerization in Nanoporous Confinement," Polymer, 52 4093 - 4098 (2011); DOI: 10.1016/j.polymer.2011.06.048.
  15. W. Zheng, A. Mohammed, L. G. Hines Jr., D. Xiao, O. J. Martinez, R. A. Bartsch, S. L. Simon, O. Russina, A. Triolo*, and E. L. Quitevis*, "Effect of Cation Symmetry on the Morphology and Physicochemical Properties of Imidazolium Ionic Liquids," Journal of Physical Chemistry B, 115 (20), 6572 - 6584 (2011); DOI: 10.1021/jp1115614.
  16. F. Begum and S. L. Simon*, "Modeling Methyl Methacrylate Free Radical Polymerization in Nanoporous Confinement," Polymer, 52, 1539 - 1545 (2011); DOI: 10.1016/j.polymer.2011.02.009.
  17. Y. P. Koh and S. L. Simon*, "Kinetic Study of Trimerization of Monocyanate Ester in Nanopores," Journal of Physical Chemistry B, 115 (5), 925 - 932 (2011); DOI: 10.1021/jp110192g.
  18. J. X. Guo and S. L. Simon*, "Pressure-Volume-Temperature Behavior of Two Polycyanurate Networks," Journal of Polymer Science: Part B: Polymer Physics, 48 (23) 2509 - 2517 (2010); DOI: 10.1002/polb.22155.
  19. W. Zheng, G. B. McKenna, and S. L. Simon*, "The Viscoelastic Behavior of Polymer/Oligomer Blends," Polymer, 51 (21), 4899 - 4906 (2010); DOI: 10.1016/j.polymer.2010.08.046.
  20. L. Grassia*, A. D'Amore, S. L. Simon, "On the Viscoelastic Poisson's Ratio in Amorphous Polymers," Journal of Rheology, 54 (5), 1009 - 1022 (2010); DOI: 10.1122/1.3473811.
  21. Y. P. Koh and S. L. Simon*, "Trimerization of Monocyanate Ester in Nanopores," Journal of Physical Chemistry B, 114 (23), 7727 - 7734 (2010); DOI: 10.1021/jp912235c.
  22. K. Z. Win, T. Karim, Q. X. Li, S. L. Simon, and G. B. McKenna*, "Thermal Pressure Coefficient of a Polyhedral Oligomeric Silsesquioxane (POSS)-Reinforced Epoxy Resin," Journal of Applied Polymer Science, 116 (1), 142 - 146 (2010); DOI: 10.1002/app.31502.
  23. J. X. Guo and S. L. Simon*, "Effect of Crosslink Density on the Pressure Relaxation Response of Polycyanurate Networks," Journal of Polymer Science: Part B: Polymer Physics, 47, 2477 - 2486 (2009).
  24. C. Dalle-Ferrier, S. Simon, W. Zheng, P. Badrinarayanan, T. Fennell, B. Frick, J. M. Zanotti, and C. Alba-Simionesco*, "The Consequence of Excess Configurational Entropy on Fragility: The Case of a Polymer/Oligomer Blend," Physical Review Letters, 103, 185702 (2009).
  25. Y. P. Koh, Q. X. Li, and S. L. Simon*, "Tg and Reactivity at the Nanoscale," Thermochimica Acta, 492 (1-2), 45 - 50 (2009).
  26. Q. X. Li and S. L. Simon*, "Surface Chemistry Effects on the Reactivity and Properties of Nanoconfined Bisphenol M Dicyanate Ester/Polycyanurate in Controlled Pore Glass," Macromolecules, 42 (10), 3573 - 3579 (2009).
  27. S. L. Simon* and G. B. McKenna, "Experimental Evidence Against the Existence of an Ideal Glass Transition," Journal of Non-Crystalline Solids, 355, 672 - 675 (2009).
  28. Y. Meng, P. Bernazzani, P. A. O’Connell, G. B. McKenna, and S. L. Simon*, "A New Pressurizable Dilatometer for Measuring the Time-Dependent Bulk Modulus and Pressure-Volume-Temperature Properties of Polymeric Materials," Review of Scientific Instruments, 80, 053903 (2009).
  29. Q. X. Li, S. A. Hutcheson, G. B. McKenna, S. L. Simon*, "Viscoelastic Properties and Residual Stresses in Polyhedral Oligomeric Silsesquioxane (POSS)-Reinforced Epoxy Matrices," Journal of Polymer Science: Part B: Polymer Physics, 46 (24), 2719 - 2732 (2008).
  30. Y. P. Koh and S. L. Simon*, "Structural Relaxation of Stacked Ultrathin Polystyrene Films," Journal of Polymer Science: Part B: Polymer Physics, 46 (24), 2741 - 2753 (2008).
  31. P. Badrinarayanan, S. L. Simon*, R. J. Lyng, and J. M. O'Reilly*, "Effect of Structure on Enthalpy Relaxation of Polycarbonate: Experiments and Modeling," Polymer, 49, 3554 - 3560 (2008); DOI: 10.1016/j.polymer.2008.05.046.
  32. Q. X. Li and S. L. Simon*, "Curing of Bisphenol M Dicyanate Ester under Nanoscale Constraint," Macromolecules, 41 (4), 1310 - 1317 (2008).
  33. W. Zheng and S. L. Simon*, "The Glass Transition in Athermal Poly(a-methyl styrene)/Oligomer Blends," Journal of Polymer Science: Part B: Polymer Physics, 46 (4), 418 - 430 (2008).
  34. P. Badrinarayanan, W. Zheng, and S. L. Simon*, "Isoconversional Analysis of the Glass Transition," Thermochimica Acta, 468 (1-2) 87 - 93 (2008).
  35. Y. Meng and S. L. Simon*, "Pressure Relaxation of Polystyrene and Its Comparison to the Shear Response," Journal of Polymer Science: Part B: Polymer Physics, 45 (21) 3375 - 3385 (2007).
  36. W. Zheng and S. L. Simon*, "Confinement Effects on the Glass Transition of Hydrogen Bonded Liquids," Journal of Chemical Physics, 127 (19), 194501 (2007).
  37. J. Sun and S. L. Simon*, "The Melting Behavior of Aluminum Nanoparticles," Thermochimica Acta, 463 (1-2), 32 - 40 (2007).
  38. R. Pitchimani, W. Zheng, S. L. Simon, L. Hope-Weeks, A. K. Burhnam, and B. L. Weeks*, "Thermodynamic Analysis of Pure and Impurity Doped Petaerythritol Tetranitrate Crystals Grown at Room Temperature," Journal of Thermal Analysis and Calorimetry, 89 (2), 475 - 778 (2007).
  39. P. Badrinarayanan, W. Zheng, Q. X. Li, and S. L. Simon*, "The Glass Transition Temperature versus the Fictive Temperature," Journal of Non-Crystalline Solids, 353, 2603 - 2612 (2007); DOI: 10.1016/j.jnoncrysol.2007.04.025.
  40. Z. Z. Li, Q. X. Li, S. Simon, N. Guven, K. Borges, B. B. C. Youan*, "Formulation of Spray-Dried Phenytoin Loaded Poly(e-caprolactone) Microcarrier Intended for Brain Delivery To Treat Epilepsy," Journal of Pharmaceutical Sciences, 96 (5), 1018 - 1030 (2007).
  41. Q. X. Li and S. L. Simon*, "Viscoelastic Shear Response and Network Structure in Polycyanurates," Macromolecules, 40 (6), 2246 - 2256 (2007); DOI: 10.1021/ma0624144.
  42. P. Badrinarayanan and S. L. Simon*, "Origin of the Divergence of the Timescales for Volume and Enthalpy Recovery," Polymer, 48, 1464 - 1470 (2007); DOI: 10.1016/j.polymer.2007.01.064.
  43. Y. P. Koh, G. B. McKenna, and S. L. Simon*, "Calorimetric Glass Transition Temperature and Absolute Heat Capacity of Polystyrene Ultrathin Films," Journal of Polymer Science: Part B: Polymer Physics, 44 (24), 3518 - 3527 (2006).
  44. S. L. Simon* and P. Bernazzani, "Structural Relaxation in the Glass: Evidence for a Path Dependence of the Relaxation Time," Journal of Non-Crystalline Solids, 352 (42-49), 4763 - 4768 (2006); DOI: 10.1016/j.jnoncrysol.2006.01.151.
  45. T. Rajagopalan, B. Lahlouh, J.A. Lubguban, N. Biswas, S. Gangopadhyay*, J. Sun, D. H. Huang, S. L. Simon, D. Toma and R. Butler, "Investigation on Hexamethyldisilazane Vapor Treatment of Plasma-Damaged Nanoporous Organosilicate Films," Applied Surface Science, 252 (18), 6323 - 6331 (2006).
  46. Q. X. Li and S. L. Simon*, "Enthalpy Recovery of Polymeric Glasses: Is the Theoretical Limiting Liquid Line Reached?" Polymer, 47 (13), 4781 - 4788 (2006).
  47. J. Sun, M. L. Pantoya, and S. L. Simon*, "Dependence of Size and Size Distribution on Reactivity of Aluminum Nanoparticles in Reactions with Oxygen and MoO3," Thermochimica Acta, 444 (2), 117-127 (2006).
  48. W. Zheng and S. L. Simon*, "Polystyrene Freeze Dried from Dilute Solution: Tg Depression and Residual Solvent Effects," Polymer, 47 (10), 3520 - 3527 (2006).
  49. B. Lahlouh, T. Rajagopalan, N. Biswas, J. Sun, D. Huang, S. L. Simon, J. A. Lubguban and S. Gangopadhyay*, "Post Treatments of Plasma-Enhanced Chemical Vapor Deposited Hydrogenated Amorphous Silicon Carbide for Low Dielectric Constant Films," Thin Solid Films, 497 (1-2), 109 - 114 (2006).
  50. M. Merzlyakov, G. B. McKenna, and S. L. Simon*, "Cure-Induced and Thermal Stresses in a Constrained Epoxy Resin," Composites Part A: Applied Science and Manufacturing, 37 (4), 585 - 591 (2006).
  51. Y. Meng and S. L. Simon*, "Relation between Mobility Factor and Diffusion Factor for Thermoset Cure," Thermochimica Acta, 437 (1-2), 179 - 189 (2005).
  52. M. Merzlyakov, S. L. Simon, and G. B. McKenna*, "Instrumented Thick-Walled Tube Method for Measuring Thermal Pressure in Fluids and Isotropic Stresses in Thermosetting Resins," Review of Scientific Instruments, 76 (6), 063904-1 - 063904-7 (2005).
  53. P. Doshi and S. Simon*, "Modeling Nanoporosity Development in Polymeric Films for Low-k Applications," Polymer Engineering and Science, 45 (5), 640 - 651 (2005).
  54. D. H. Huang, S. L. Simon, G. B. McKenna*, "Chain Length Dependence of the Thermodynamic Properties of Linear and Cyclic Alkanes and Polymers," Journal of Chemical Physics, 122 (8), 084907-1 - 084907-6 (2005).
  55. S. Kolla and S. L. Simon*, "The t-Effective Paradox: New Measurements Towards a Resolution," Polymer, 46 (3), 733 - 739 (2005).
  56. J. Lubguban, S. Gangopadhyay*, B. Lahlouh, T. Rajagopalan, J. Sun, D. Huang, S. L. Simon, A. Mallikarjunan, H. Kim, J. Hedstrom, W. Volksen, R. Miller, and M. Toney, "Supercritical CO2 Extraction of Porogen Phase: An Alternative Route to Nanoporous Dielectrics," Journal of Materials Research, 19 (11), 3224 - 3233 (2004).
  57. M. Merzlyakov, Y. Meng, S. L. Simon and G. B. McKenna*, "A Novel Instrumented Sphere Method for Measuring Isotropic Stresses and Reaction Kinetics in Thermosetting Resins," Review of Scientific Instruments, 75 (10), 3327 - 3334 (2004).
  58. S. L. Simon*, P. Bernazzani, and G. B. McKenna, "Effects of Freeze-Drying on the Glass Temperature of Cyclic Polystyrenes," Polymer, 44 (26), 8025 - 8032 (2003).
  59. I. Echeverria, P. L. Kolek, D. J. Plazek, and S. L. Simon*, "Enthalpy Recovery, Creep and Creep-Recovery Measurements during Physical Aging of Amorphous Selenium," Journal of Non-Crystalline Solids, 324 (3), 242 - 255 (2003).
  60. D. H. Huang, S. L. Simon and G. B. McKenna*, "Equilibrium Heat Capacity of the Glass-Forming Poly(a-methyl styrene) Far Below the Kauzmann Temperature: The Case of the Missing Glass Transition," Journal of Chemical Physics, 119 (7), 3590 - 3593 (2003).
  61. T. Rajagopalan, B. Lahlouh, J. A. Lubguban, N. Biswas, S. Gangopadhyay*, J. Sun, D. H. Huang, S. L. Simon, A. Malikarjun, H. C. Kim, W. Volksen, M. F. Toney, E. Huang, P. M. Rice, E. Delenia, and R. D. Miller, "Supercritical Carbon Dioxide Extraction of Porogens for the Preparation of Ultralow-Dielectric-Constant Films," Applied Physics Letters, 82 (24), 4328 - 4330 (2003).
  62. M. Alcoutlabi, G. B. McKenna, and S. L. Simon*, "Analysis of the Development of Isotropic Residual Stresses in a Bismaleimide/Spiro Orthocarbonate Thermosetting Resin for Composite Materials," Journal of Applied Polymer Science, 88 (1), 227 - 244 (2003).
  63. J. A. Lubguban, J. Sun, T. Rajagopalan, B. Lahlouh, S. L. Simon and S. Gangopadhyay*, "Supercritical Carbon Dioxide Extraction to Produce Low-k Plasma Enhanced Chemical Vapor Deposition Dielectric Films," Applied Physics Letters, 81 (23), 4407 - 4409 (2002).
  64. Y. Zheng, S. L. Simon and G. B. McKenna*, "Modeling Structural Recovery in Glasses: Analysis of the Peak Shift Method," Journal of Polymer Science: Part B: Polymer Physics, 40 (18), 2027 - 2036 (2002).
  65. P. Bernazzani and S. L. Simon*, "Volume Recovery of Polystyrene: Evolution of the Characteristic Relaxation Time," Journal of Non-Crystalline Solids, 307-310C, 470 - 480 (2002).
  66. K. M. Bernatz, I. Echeverria, S. L. Simon* and D. J. Plazek*, "Characterization of the Molecular Structure of Amorphous Selenium using Recoverable Creep Compliance Measurements," Journal of Non-Crystalline Solids, 307, 790 - 801 (2002).
  67. J. Lubguban, T. Rajagopalan, N. Mehta, B. Lahlouh, S. L. Simon and S. Gangopadhyay*, "Low-k Organosilicate Films Prepared by Tetravinyltetramethylcyclotetrasiloxane," Journal of Applied Physics, 92 (2), 1033 - 1038 (2002).
  68. P. Bernazzani, S. L. Simon*, D. J. Plazek and K. L. Ngai, "Effect of Entanglement Concentration on Tg and Local Segmental Motions," European Physical Journal E: Soft Matter, 8 (2), 201 - 207 (2002).
  69. S. L. Simon*, J.-Y. Park and G. B. McKenna*, "Enthalpy Recovery of a Glass-Forming Liquid Constrained in a Nanoporous Matrix: Negative Pressure Effects," European Physical Journal E: Soft Matter, 8 (2), 209 - 216 (2002).
  70. K. M. Bernatz, I. Echeverria, S. L. Simon*, and D. J. Plazek*, "Viscoelastic Properties of Amorphous Boron Trioxide," Journal of Non-Crystalline Solids, 289, 9 - 16 (2001).
  71. S. L. Simon*, "Temperature Modulated DSC: Theory and Application," Thermochimica Acta, 374 (1), 55 - 71 (2001); Review solicited by Associate Editor.
  72. S. L. Simon*, J. W. Sobieski, and D. J. Plazek, "Volume and Enthalpy Recovery of a Polystyrene," Polymer, 42 (6), 2555 - 2567 (2001).
  73. P. Prasatya, G. B. McKenna, and S. L. Simon*, "A Viscoelastic Model For Predicting Hydrostatic Residual Stresses in Thermosetting Materials: Effects of Processing Parameters," Journal of Composite Materials, 35 (10), 826 - 848 (2001).
  74. S. L. Simon* and G. B. McKenna, "Quantitative Analysis of the Errors in TMDSC in the Glass Transition Region," Thermochimica Acta, 348 (1-2), 77 - 89 (2000).
  75. S. L. Simon*, G. B. McKenna, and O. Sindt, "Modeling the Evolution of the Dynamic Mechanical Properties of a Commercial Epoxy during Cure after Gelation," Journal of Applied Polymer Science, 76 (4), 495 - 508 (2000).
  76. K. M. Bernatz, L. Giri, S. L. Simon*, and D. J. Plazek*, "Physical Aging by Periodic and Interrupted Creep Experiments," Journal of Chemical Physics, 111(5), 2235 - 2241 (1999).
  77. E. Karmana, S. Simon* and R. Enick, "Carbon-Dioxide-Based Microsortation of Postconsumer Polyolefins and its Effect on Polyolefin Properties," Polymer-Plastics Technology and Engineering, 38 (3), 433 - 444 (1999).
  78. S. L. Simon* and G. B. McKenna, "Measurement of Thermal Conductivity from TMDSC: Solution to the Heat Flow Problem," Journal of Reinforced Plastics and Composites, 18 (6), 559 - 571 (1999).
  79. R. E. Zacharia, S. L. Simon*, E. J. Beckman, and R. M. Enick, "Improving the Thermal Stability of a Polymer through Liquid Carbon Dioxide Extraction of a Transition Metal Catalyst," Journal of Polymer Degradation and Stability, 63 (1), 85 - 88 (1999).
  80. R. E. Zacharia and S. L. Simon*, "Dynamic and Isothermal Thermogravimetric Analysis of a Polycyanurate Thermosetting System," Polymer Engineering and Science, 38 (4), 566 - 572 (1998).
  81. S. L. Simon* and G. B. McKenna, "The Effects of Structural Recovery and Thermal Lag in Modulated DSC Measurements," Thermochemica Acta, 307 (1), 1 - 10 (1997).
  82. S. L. Simon* and G. B. McKenna*, "Interpretation of Dynamic Heat Capacity in Glass-Forming Liquids," Journal of Chemical Physics, 107 (20), 8678 - 8685 (1997).
  83. S. L. Simon*, "Enthalpy Recovery of Polyetherimide: Experiment and Model Calculations Incorporating Thermal Lag Effects," Macromolecules, 30 (14), 4056 - 4063 (1997).
  84. S. L. Simon*, D. J. Plazek, J. W. Sobieski, and E. T. McGregor, "Physical Aging of a Polyetherimide: Volume Recovery and Its Comparison to Creep and Enthalpy Measurements," Journal of Polymer Science: Part B: Polymer Physics, 35 (6), 929 - 936 (1997).
  85. R. E. Zacharia and S. L. Simon*, "Effect of Catalyst on the Thermal Degradation of a Polycyanurate Thermosetting System," Journal of Applied Polymer Science, 64 (1), 127 - 131 (1997).
  86. R. E. Zacharia and S. L. Simon*, "Thermogravimetric Analysis of a Polycyanurate Thermosetting Material," Journal of Thermal Analysis, 49 (1), 311 - 315 (1997).
  87. W. J. Sobieski, S. L. Simon*, and D. J. Plazek, "Dilatometric Studies of Physical Aging of Polyetherimide," Journal of Thermal Analysis, 49 (1), 455 - 460 (1997).
  88. I. Echeverria*, P-C. Su, S. L. Simon, D. J. Plazek, "Physical Aging of Polyetherimide: Creep and DSC Measurements," Journal of Polymer Science: Part B: Polymer Physics, 33 (17), 2457 - 2468 (1995).
  89. S. L. Simon and J. K. Gillham*, "Thermosetting Cure Diagrams: Calculation and Application," Journal of Applied Polymer Science, 53 (6), 709 - 727 (1994).
  90. S. L. Simon and J. K. Gillham*, "Conversion-Temperature-Property Diagram for a Liquid Dicyanate Ester/High-Tg Polycyanurate Thermosetting System," Journal of Applied Polymer Science, 51 (10), 1741 - 1752 (1994).
  91. S. L. Simon and J. K. Gillham*, "Coating Applications of Thermosetting Cure Diagrams: Off-Stoichiometric High-Tg Epoxy/Amine Systems," Journal of Coatings Technology, 65 (823), 57 - 65 (1993).
  92. S. L. Simon and J. K. Gillham*, "Cure Kinetics of a Liquid Dicyanate Ester Monomer/ High-Tg Polycyanurate Material," Journal of Applied Polymer Science, 47 (3), 461 - 485 (1993).
  93. S. L. Simon and J. K. Gillham*, "Reaction Kinetics and TTT Cure Diagrams for Off-Stoichiometric Ratios of a High-Tg Epoxy/Amine System," Journal of Applied Polymer Science, 46 (7), 1245 - 1270 (1992).