Chemistry Reference
In-Depth Information
the preceding paragraph. Others focus on differences between the nonpo-
lar alkyl groups and the polar Si-O backbone, 293 or the very high rota-
tional and oscillatory freedom of the methyl side groups in PDMS, the
most important of the polysiloxanes. 298 Still another focuses on the chain's
irregular cross section (very large at the substituted Si atom and very
small at the unsubstituted O atoms.) 271 Another possible explanation is
the fact that chains with unequal skeletal bond angles would not pack
easily 299 since they would not be able to form the planar zig-zag conforma-
tions of polymers such as polyethylene.
Additional work in this area will almost certainly involve supramolecu-
lar structures. 300, 301
REFERENCES
1. Brandrup, J.; Immergut, E. H.; Grulke, E. A., Polymer Handbook , 4th ed. Wiley:
New York, 1999.
2. Mark, J. E., Physical Properties of Polymers Handbook , 2nd ed. Springer-Verlag:
New York, 2007.
3. Mark, J. E., Polymer Data Handbook , 2nd ed . Oxford University Press: New
York, 2009.
4. Smith, J. S.; Bedrov, D.; Smith, G. D.; Kober, E. M., Thermodynamics and Con-
formational Changes upon Stretching a Poly(dimethylsiloxane) Chain in the
Melt. Macromolecules 2005 , 38 , 8101-8107.
5. Hanson, D. E.; Martin, R. L., How Far Can a Rubber Molecule Stretch Before
Breaking? Ab Initio Study of Tensile Elasticity and Failure in Single-Molecule
Polyisoprene and Polybutadiene. J. Chem. Phys . 2009 , 130 , 064903.
6. Durig, J. R.; Flanagan, M. J.; Kalasinsky, V. F., The Determination of the Po-
tential Function Governing Low Frequency Bending Mode in Disiloxane.
J. Chem. Phys . 1977 , 66 , 2775-2785.
7. Oberhammer, H.; Boggs, J. E., Importance of (p-d)π Bonding in the Siloxane
Bond. J. Am. Chem. Soc . 1980 , 102 , 7241-7244.
8. Bock, H., Fundamentals of Silicon Chemistry: Molecular States of Silicon-
Containing Compounds. Angew. Chem. Int. Ed. Engl . 1989 , 28 (12), 1627-1650.
9. Nicholas, J. B.; Winans, R. E.; Harrison, R. J.; Iton, L. E.; Curtiss, L. A.;
Hopfinger, A. J., An ab Initio Investigation of Disiloxane Using Extended Basis
Sets and Electron Correlation. J. Phys. Chem . 1992 , 96 , 7958-7965.
10. Sides, S. W.; Curro, J.; Grest, G. S.; Stevens, M. J.; Soddemann, T.; Haben-
schuss, A.; Londono, J. D., Structure of Poly(dimethylsiloxane) Melts: Theory,
Simulation, and Experiment. Macromolecules 2002 , 35 , 6455-6465.
11. Frischknecht, A. L.; Curro, J., Improved United Atom Force Field for
Poly(dimethylsiloxane). Macromolecules 2003 , 36 (6), 2122-2129.
12. Smith, J. S.; Borodin, O.; Smith, G. D., A Quantum Chemistry Based Force
Field for Poly(dimethylsiloxane). J. Phys. Chem. B 2004 , 108 , 20340-20350.
13. Ismail, A. E.; Grest, G. S.; Heine, D. R.; Stevens, M. J.; Tsige, M., Interfacial
Structure and Dynamics of Siloxane Systems: PDMS-Vapor and PDMS-Water.
Macromolecules 2009 , 42 , 3186-3194.
Search WWH ::




Custom Search