Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling

Mayer, Brian P.; Lewicki, James P.; Weisgraber, Todd H.; Small, Ward; Chinn, Sarah C.; Maxwell, Robert S.

doi:10.1021/ma2019039

Title: Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling

Journal Article · Tue Oct 25 00:00:00 EDT 2011 · Macromolecules

DOI:https://doi.org/10.1021/ma2019039· OSTI ID:1111129

Mayer, Brian P.; Lewicki, James P.; Weisgraber, Todd H.; Small, Ward; Chinn, Sarah C.; Maxwell, Robert S.

View Journal Article

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 1111129

Report Number(s):: LLNL-JRNL-499216

Journal Information:: Macromolecules, Vol. 44, Issue 20; ISSN 0024-9297

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (46)

Low-Field NMR Investigations of Nanocomposites: Polymer Dynamics and Network Effects Papon, Aurélie; Saalwächter, Kay; Schäler, Kerstin Macromolecules, Vol. 44, Issue 4 https://doi.org/10.1021/ma102486x	journal	February 2011
Model networks of end-linked polydimethylsiloxane chains. XI. Use of very short network chains to improve ultimate properties Llorente, M. A.; Andrady, A. L.; Mark, J. E. Journal of Polymer Science: Polymer Physics Edition, Vol. 19, Issue 4 https://doi.org/10.1002/pol.1981.180190406	journal	April 1981
Model networks of end-linked polydimethylsiloxane chains: XIII. The effects of junction functionality on the elastic properties of the bimodal networks Llorente, M. A.; Andrady, A. L.; Mark, J. E. Colloid and Polymer Science, Vol. 259, Issue 11 https://doi.org/10.1007/BF01524890	journal	November 1981
Effect of reinforcing fillers on the rheology of polymer melts Aranguren, Mirta I.; Mora, Elsi; DeGroot, Jon V. Journal of Rheology, Vol. 36, Issue 6 https://doi.org/10.1122/1.550306	journal	August 1992
Silica—siloxane mixtures. Investigations into adsorption properties of end-methylated and end-hydroxylated chains Cohen-Addad, J. P.; Ebengou, R. Polymer, Vol. 33, Issue 2 https://doi.org/10.1016/0032-3861(92)90997-B	journal	January 1992
Silica-siloxane mixtures. Structure of the adsorbed layer: chain length dependence Cohen-Addad, J. P. Polymer, Vol. 30, Issue 10 https://doi.org/10.1016/0032-3861(89)90351-0	journal	October 1989
Compounding Fumed Silicas into Polydimethylsiloxane: Bound Rubber and Final Aggregate Size Aranguren, Mirta I.; Mora, Elsi; Macosko, Christopher W. Journal of Colloid and Interface Science, Vol. 195, Issue 2 https://doi.org/10.1006/jcis.1997.5143	journal	November 1997
Elastic modulus and equilibrium swelling of poly(dimethylsiloxane) networks Patel, Suman K.; Malone, Shawn; Cohen, Claude Macromolecules, Vol. 25, Issue 20 https://doi.org/10.1021/ma00046a021	journal	September 1992
Model networks of end‐linked polydimethylsiloxane chains. VII. Networks designed to demonstrate non‐Gaussian effects related to limited chain extensibility Andrady, A. L.; Llorente, M. A.; Mark, J. E. The Journal of Chemical Physics, Vol. 72, Issue 4 https://doi.org/10.1063/1.439472	journal	February 1980
Constitutive modeling of radiation effects on the permanent set in a silicone elastomer Maiti, A.; Gee, R. H.; Weisgraber, T. Polymer Degradation and Stability, Vol. 93, Issue 12 https://doi.org/10.1016/j.polymdegradstab.2008.05.023	journal	December 2008
Synthesis, structure, and properties of poly(dimethylsiloxane) networks reinforced by in situ-precipitated silica–titania, silica–zirconia, and silica–alumina mixed oxides Wen, Jianye; Mark, James E. Journal of Applied Polymer Science, Vol. 58, Issue 7 https://doi.org/10.1002/app.1995.070580707	journal	November 1995
Rheology and structure of precipitated silica and poly(dimethyl siloxane) system Shim, Sang Eun; Isayev, Avraam I. Rheologica Acta, Vol. 43, Issue 2 https://doi.org/10.1007/s00397-003-0327-6	journal	March 2004
Molecular dynamics studies on the effects of water speciation on interfacial structure and dynamics in silica-filled PDMS composites Gee, Richard H.; Maxwell, Robert S.; Balazs, Bryan Polymer, Vol. 45, Issue 11 https://doi.org/10.1016/j.polymer.2004.01.078	journal	May 2004
Changes in silicone polymeric fluids due to high-energy radiation Charlesby, A. Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 230, Issue 1180, p. 120-135 https://doi.org/10.1098/rspa.1955.0116	journal	June 1955
The Influence of Fumed Silica Properties on the Processing, Curing, and Reinforcement Properties of Silicone Rubber Cochrane, H.; Lin, C. S. Rubber Chemistry and Technology, Vol. 66, Issue 1 https://doi.org/10.5254/1.3538299	journal	March 1993
Thermal Degradation in a Trimodal Poly(dimethylsiloxane) Network Studied by ¹ H Multiple Quantum NMR Giuliani, Jason R.; Gjersing, Erica L.; Chinn, Sarah C. The Journal of Physical Chemistry B, Vol. 111, Issue 45 https://doi.org/10.1021/jp075840f	journal	October 2007
Proton multiple-quantum NMR for the study of chain dynamics and structural constraints in polymeric soft materials Saalwachter, K. Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 51, Issue 1 https://doi.org/10.1016/j.pnmrs.2007.01.001	journal	August 2007
MQ NMR and SPME Analysis of Nonlinearity in the Degradation of a Filled Silicone Elastomer Chinn, Sarah C.; Alviso, Cynthia T.; Berman, Elena S. F. The Journal of Physical Chemistry B, Vol. 114, Issue 30 https://doi.org/10.1021/jp1013797	journal	August 2010
NMR observation of the swelling process of polydimethylsiloxane networks. Average orientational order of monomeric units Cohen‐Addad, J. P.; Domard, M.; Herz, J. The Journal of Chemical Physics, Vol. 76, Issue 5 https://doi.org/10.1063/1.443260	journal	March 1982
Polymeric gels. NMR study of elementary chain swelling. Effect of trapped topological constraints Cohen-Addad, J. P.; Domard, M.; Lorentz, G. Journal de Physique, Vol. 45, Issue 3 https://doi.org/10.1051/jphys:01984004503057500	journal	January 1984
Molecular weight distributions of irradiated siloxane-based elastomers: A complementary study by statistical modeling and multiple quantum nuclear magnetic resonance Dinh, L. N.; Mayer, B. P.; Maiti, A. Journal of Applied Physics, Vol. 109, Issue 9 https://doi.org/10.1063/1.3587169	journal	May 2011
A three-dimensional constitutive model for the large stretch behavior of rubber elastic materials Arruda, Ellen M.; Boyce, Mary C. Journal of the Mechanics and Physics of Solids, Vol. 41, Issue 2 https://doi.org/10.1016/0022-5096(93)90013-6	journal	February 1993
An explicit polymer and node network model to compute micromechanical properties of silica-filled polydimethylsiloxane Hanson, D. E. Polymer, Vol. 45, Issue 3 https://doi.org/10.1016/j.polymer.2003.11.028	journal	February 2004
Equilibrium modulus of model poly(dimethylsiloxane) networks Gottlieb, M.; Macosko, C. W.; Benjamin, G. S. Macromolecules, Vol. 14, Issue 4 https://doi.org/10.1021/ma50005a028	journal	July 1981
An investigation of the properties of non-Gaussian poly(dimethylsiloxane) model networks in the swollen state Clarson, S. J.; Galiatsatos, V.; Mark, J. E. Macromolecules, Vol. 23, Issue 5 https://doi.org/10.1021/ma00207a043	journal	March 1990
Mechanical and swelling properties of PDMS interpenetrating polymer networks Yoo, Seong Hyun; Cohen, Claude; Hui, Chung-Yuen Polymer, Vol. 47, Issue 17 https://doi.org/10.1016/j.polymer.2006.06.035	journal	August 2006
Scaling behavior: Effect of precursor concentration and precursor molecular weight on the modulus and swelling of polymeric networks Sivasailam, Kavitha; Cohen, Claude Journal of Rheology, Vol. 44, Issue 4 https://doi.org/10.1122/1.551120	journal	July 2000
Neutron scattering from equilibrium-swollen networks Sukumaran, S. K.; Beaucage, G.; Mark, J. E. The European Physical Journal E, Vol. 18, Issue 1 https://doi.org/10.1140/epje/i2005-10030-x	journal	September 2005
Uniaxiality induced in a strained poly(dimethylsiloxane) network Sotta, P.; Deloche, B. Macromolecules, Vol. 23, Issue 7 https://doi.org/10.1021/ma00209a021	journal	April 1990
1H multiple-quantum nuclear magnetic resonance investigations of molecular order distributions in poly(dimethylsiloxane) networks: Evidence for a linear mixing law in bimodal systems Saalwächter, Kay; Ziegler, Pascal; Spyckerelle, Olivier The Journal of Chemical Physics, Vol. 119, Issue 6 https://doi.org/10.1063/1.1589000	journal	August 2003
Precise dipolar coupling constant distribution analysis in proton multiple-quantum NMR of elastomers Chassé, Walter; Valentín, Juan López; Genesky, Geoffrey D. The Journal of Chemical Physics, Vol. 134, Issue 4 https://doi.org/10.1063/1.3534856	journal	January 2011
A mesoscopic network model for permanent set in crosslinked elastomers Weisgraber, Todd H.; Gee, Richard H.; Maiti, Amitesh Polymer, Vol. 50, Issue 23 https://doi.org/10.1016/j.polymer.2009.09.046	journal	November 2009
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
A New Derivation of Post Gel Properties of Network Polymers Miller, Douglas R.; Macosko, Christopher W. Macromolecules, Vol. 9, Issue 2 https://doi.org/10.1021/ma60050a004	journal	March 1976
Properties of Networks Formed by End Linking of Poly(dimethylsiloxane) Valles, Enrique M.; Macosko, Christopher W. Macromolecules, Vol. 12, Issue 4 https://doi.org/10.1021/ma60070a025	journal	July 1979
Model Networks of End-Linked Poly(dimethylsiloxane) Chains. 8. Networks Having Cross-Links of Very High Functionality Llorente, M. A.; Mark, J. E. Macromolecules, Vol. 13, Issue 3 https://doi.org/10.1021/ma60075a038	journal	May 1980
Model Silicone Elastomer Networks of High Juction Functionality: Synthesis, Tensile Behavior, Swelling Behavior, and Comparison with Molecular Theories of Rubber Elasticity Meyers, K. O.; Bye, M. L.; Merrill, E. W. Macromolecules, Vol. 13, Issue 5 https://doi.org/10.1021/ma60077a005	journal	September 1980
Stress relaxation and dynamic viscoelastic properties of end-linked poly(dimethyl siloxane) networks containing unattached poly(dimethyl siloxane) Granick, Steve; Pedersen, Sven; Nelb, Gary W. Journal of Polymer Science: Polymer Physics Edition, Vol. 19, Issue 11 https://doi.org/10.1002/pol.1981.180191107	journal	November 1981
Statistical Mechanics of Random Coil Networks Graessley, William W. Macromolecules, Vol. 8, Issue 2 https://doi.org/10.1021/ma60044a017	journal	March 1975
Elastically Effective Strand Density in Polymer Networks Langley, Neal R. Macromolecules, Vol. 1, Issue 4 https://doi.org/10.1021/ma60004a015	journal	July 1968
Dynamic Mechanical Properties of Cross-Linked Rubbers. VI. Poly(dimethylsiloxane) Networks Langley, Neal R.; Ferry, John D. Macromolecules, Vol. 1, Issue 4 https://doi.org/10.1021/ma60004a016	journal	July 1968
Molecular dynamics simulations of poly(dialkylsiloxanes): conformational statistics and unperturbed chain dimensions Neuburger, Neal; Bahar, Ivet; Mattice, Wayne L. Macromolecules, Vol. 25, Issue 9 https://doi.org/10.1021/ma00035a024	journal	April 1992
Modeling 1H NMR transverse magnetization decay in polysiloxane-silica composites Mayer, Brian P.; Chinn, Sarah C.; Maxwell, Robert S. Chemical Engineering Science, Vol. 64, Issue 22 https://doi.org/10.1016/j.ces.2009.01.020	journal	November 2009
Dynamics of entangled linear polymer melts: A molecular‐dynamics simulation Kremer, Kurt; Grest, Gary S. The Journal of Chemical Physics, Vol. 92, Issue 8 https://doi.org/10.1063/1.458541	journal	April 1990
Structure and relaxation of end‐linked polymer networks Duering, Edgardo R.; Kremer, Kurt; Grest, Gary S. The Journal of Chemical Physics, Vol. 101, Issue 9 https://doi.org/10.1063/1.468202	journal	November 1994
NMR Reveals Non-Distributed and Uniform Character of Network Chain Dynamics Saalwächter, Kay; Sommer, Jens-Uwe Macromolecular Rapid Communications, Vol. 28, Issue 14 https://doi.org/10.1002/marc.200700169	journal	July 2007

Similar Records

Molecular Weight Distributions of Irradiated Siloxane-Based Elastomers: A Complementary Study by Statistical Modeling and Multiple Quantum Nuclear Magnetic Resonance.

Journal Article · Sun May 23 00:00:00 EDT 2010 · Journal of Applied Physics, vol. 109, no. 9, May 11, 2011, pp. 094905 · OSTI ID:1111129

Dinh, L N; Mayer, B P; Maiti, A; +2 more

Molecular weight distributions of irradiated siloxane-based elastomers: A complementary study by statistical modeling and multiple quantum nuclear magnetic resonance

Journal Article · Sun May 01 00:00:00 EDT 2011 · Journal of Applied Physics · OSTI ID:1111129

Dinh, L N; Mayer, B P; Maiti, A; +2 more

Thermal Degradation Behavior of Siloxane Elastomer Impregnated Carbon Nanotube Areogel Networks

Conference · Mon Dec 13 00:00:00 EST 2010 · OSTI ID:1111129

Lewicki, J P; Worsley, M A

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY

Title: Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling

Citation Formats

References (46)

Similar Records

Related Subjects