Journal
MACROMOLECULES
Volume 54, Issue 2, Pages 597-608Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.macromol.0c02266
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Funding
- Office of Naval Research [N00014-16-1-2532]
- DOE-NNSA's Office of Experimental Sciences
- DOE Office of Science [DE-AC02-06CH11357]
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Polyurea, an elastomer with a phase-segregated microstructure, was studied under high pressure using multi-angle energy-dispersive X-ray diffraction experiments. The results indicate compression between hard segments and an increase in π-stacking separation between soft segments under pressure.
Polyurea, an elastomer with a phase-segregated microstructure, has been proven as an effective coating in defense applications. To gain a more complete understanding of the high-pressure atomic-level morphology of these phases and to validate molecular dynamics (MD) simulations, multi-angle energy-dispersive X-ray diffraction experiments were performed in situ up to pressures of similar to 6 GPa at room temperature. Structure factors were obtained and compared to MD simulations with an average error of less than 5% between major peak positions. The first sharp diffraction peak shifted from 4.56 A to lower d-spacing with pressure, indicating compression between hard segments. This was further supported by the behavior of a peak at similar to 3.86 A from the pair distribution function (PDF), suspected to represent p-stacking and separation between soft segments. Compression within the hard segments themselves is minimal as low-r peaks in the PDF are not greatly affected by pressure.
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