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A property trend study of polybenzimidazole using molecular modeling
Author(s) -
Iwamoto N.
Publication year - 1994
Publication title -
polymer engineering and science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.503
H-Index - 111
eISSN - 1548-2634
pISSN - 0032-3888
DOI - 10.1002/pen.760340509
Subject(s) - materials science , property (philosophy) , polymer , molecular mechanics , molecular dynamics , extension (predicate logic) , nanotechnology , computational chemistry , computer science , composite material , chemistry , philosophy , epistemology , programming language
Molecular mechanics and dynamics have become a standard analysis tool used in drug design and synthesis, but it has not generally been used as part of structural and mechanical analysis. The need for such tools is an obvious extension of structure‐property correlations known in polymer formulation, engineering, and manufacture. This study probes the use of mechanics and dynamics techniques to help explain property trends found in hydrated polybenzimidazole (PBI).