Quasi-Static Modeling of Chain-Dynamics in the Amorphous Glassy Polycarbonate of 4,4'-Isopropyledenediphenol

reportActive / Technical Report | Accession Number: ADA237289 | Open PDF

Abstract:

A detailed static atomistic model of the defense, glassy polycarbonate of 4,4-isopropylidenediphenol bisphenol-A polycarbonate, PC is used for a quasi-static simulation of localized motions. These motions include the phenylene ring flip, conformational changes of the carbonate group, and cooperative main chain motion. The frequency distributions for both simulated motions cover several orders of magnitude. The average energy barrier to phenylene ring flip is calculated as 10.4 kcalmol. No significant reorientation of the ring axis was observed in the simulations, with 90 of the axes changing less than 15. A slight main chain motion was found superimposed upon the ring flip and the carbonate group conformational changes.

Author(s):
Hutnik, H. ; Argon, A. S. ; Suter, U. W.
Author Organization(s):
MASSACHUSETTS INST OF TECH CAMBRIDGE
Descriptive Note:
Interim technical rept. no. 31, 1990-1991,
Supplementary Note:
DOI: 10.21236/ADA237289
Pagination:
0049

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release
Distribution Statement:
Approved For Public Release; Distribution Is Unlimited.

RECORD

Collection: TR
Identifying Numbers
Contract/Grant Number(s):
N00014-86-K-0768
Monitor Series:
ONR
 Subject Terms
Joint Capability Areas:
JCA_6.3.3_Spectrum Management; JCA_1.2.5_Lessons Learned; JCA_1.2.7_Experimentation; JCA_1_Force Support; JCA_6.3_Net Management; JCA_6_Net Centric; JCA_5_Command and Control; JCA_3.2_Engagement; JCA_3_Force Application; JCA_5.3_Planning
Modernization Areas:
Microelectronics; Quantum Science and Computing
Communities of Interest:
Energy and Power Technologies
Descriptor(s):
*POLYCARBONATES, POLYMERS, ACRYLONITRILE POLYMERS, PHENOLIC PLASTICS, PHENYL RADICALS, ATOMIC PROPERTIES, DYNAMICS, AMORPHOUS MATERIALS
Field(s)/Group(s):
Plastics
Report Date:
1991 May 31