Amorphous State and Solubility Simulation of Poly(N-arylenebenzimidazole ketone)

Xiang Wang Cui; Lin Zhang

doi:10.4028/www.scientific.net/AMM.513-517.295

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Temperature-Induced Structure and Morphological Transformation in SnS Prepared by a Chemical Vapor Deposition Method
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Computational Studies on O(3P) +CHF2 Reaction Mechanism
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Amorphous State and Solubility Simulation of Poly(N-arylenebenzimidazole ketone)
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Recalculation Yielded the Small Molecule Fragments of C₃H₆⁺ from Low Excited States of C₅H₈O⁺
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The Research of the Oil Base Drilling Fluid Hard Brittle Shale Sidewall Instability Mechanism
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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 513-517Amorphous State and Solubility Simulation of...

Amorphous State and Solubility Simulation of Poly(N-arylenebenzimidazole ketone)

Abstract:

The amorphous state of poly (Narylenebenzimidazole ketone)(PNABIK) were determined using the Amorphous Cell Module of the Materials Studio program. The solubility improvement of PNABIK compared with traditional ploybenzimidazole (PBI) was also simulated by cohesive energy density (CED) calculating. PNABIK was synthesized by N-C coupling reaction to validate the rationality of simulation results and all the simulation results were consistent with the experimental tests.