Abstract
The long-term performance of any novel material in its working environment is an intriguing area of research. The combined effect of the moisture content (relative humidity) and temperature of the environment degrades the mechanical properties of polymer composites. In the first part of this manuscript, polyurea–polyhedral oligomeric silsesquioxane (POSS) nanocomposites are subjected to continuous hygrothermal cycling. The effects of prolonged hygrothermal aging on the mechanical performance of the composites are evaluated in terms of the change in tensile strength and elongation at failure. Aged composites are subjected to FTIR spectroscopy to study the chemical changes resulting from the hydrolysis of polyurea. In the second part, attempts are made to study the effect of the addition of POSS nanoreinforcement on the mechanical properties of the resulting composite materials using molecular dynamics (MD) simulations. Results obtained here show poor agreement between MD simulation results and results obtained using dynamic mechanical analysis studies. However, qualitatively, both simulation and experimental results exhibit similar effects due to addition of POSS nanoparticles on the mechanical properties of polyurea–POSS nanocomposites.
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References
Grujicic A, LaBerge M, Grujicic M, Pandurangan B, Runt J, Tarter J, Dillon G (2012) J Mater Eng Perform 21:1562
Huang W, Xiang J, Lv P, Li X (2012) Adv Mater Res 374–377:1325
Stephenson LD, Bailey D, Kumar A, Hock V (2010) Mater Perform 49:47
Grujicic M, d’Entremont BP, Pandurangan B, Runt J, Tarter J, Dillon G (2012) J Mater Eng Perform 21:2024
Nanostructured materials information brochure (2000) V9.02 rev., Hybrid Plastics
Isonate 143L Modified MDI, Product information (2001), Form No. 109-00713-801QRP, Dow Plastics
Versalink P-1000 Polytetramethyleneoxide-di-p-aminobenzoate (2005), Pub No. 140-05-050-US, Polyurethane Specialty Products group, Air Products and Chemicals
ASTM D412-06 Standard test method for vulcanized rubber and thermoplastic elastomers in tension (2006)
Hynes P, http://www.cmth.ph.ic.ac.uk/people/p.haynes/thesis/node13.html. Accessed on 27 Dec 2013
Al-Ostaz A, Pal G, Raju Mantena P, Cheng A (2008) J Membr Sci 43:164
Sun H (1998) J Phys Chem B 102:7338
http://www.fisica.uniud.it/ercolessi/md/md/node6.html. Accessed on 27 Dec 2013
Anderson HC (1980) J Chem Phys 72:2384
Theodorou DN, Suter UW (1986) Macromolecules 19:139
Umemura K, Takahashi A, Kawai S (2002) J Wood Sci 48:387
Bertsimas D, Tsitsiklis J (1993) Stat Sci 8:10
Personal communication with Hybrid Plastics, Inc. April 2013
Pal G (2013) Physical, mechanical and chemical aging of polyurea nanocomposites, Ph.D. Dissertation, Department of Civil Engineering, The University of Mississippi
MS Modeling Online Help Manual (2006) Accelrys Inc 2006
Yi J, Boyce MC, Lee GF, Balizer E (2006) Polymer 47:319
Roland CM, Twigg JN, Vu Y, Mott PH (2007) Polymer 48:574
Sarva SS, Deschanel S, Boyce MC, Chen W (2007) Polymer 48:2208
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Authors acknowledge the financial support received under a subcontract from the Department of Homeland Security-sponsored Southeast Region Research Initiative (SERRI) at the Department of Energy’s Oak Ridge National Laboratory for this research work.
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Pal, G., Al-Ostaz, A., Li, X. et al. Molecular Dynamics Simulations and Hygrothermal Aging of Polyurea–POSS Nanocomposites. J Polym Environ 23, 171–182 (2015). https://doi.org/10.1007/s10924-015-0710-2
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DOI: https://doi.org/10.1007/s10924-015-0710-2