Abstract: Cavity Size Distributions and Diffusions in Polyimides and TR Polymers by Molecular Simulation (2010 Spring National Meeting)

Sunday, March 21, 2010: 2:30 PM

Bowie B (Grand Hyatt San Antonio)

Yingying Jiang¹, Frank T. Willmore² and Isaac C. Sanchez¹, (1)Chemical Engineering, University of Texas at Austin, Austin, TX, (2)Texas Advanced Computing Center, University of Texas at Austin, Austin, TX

The objective of this study is to investigate the cavity size distributions and gas diffusion in polyimides and TR polymers by molecular simulation. The diffusion and the solubility coefficients of small gas molecules (N2, H2, CO2, CH4) in HAB-6FDA [HAB-6FDA, synthesized from 3, 3'-dihydroxy-4, 4'-diphenylene diamine (HAB) and hexafluoroproprane dianhydride (6FDA)] are investigated by experimental techniques. Simulation results are in good agreement with experimental data.

Extended Abstract: File Not Uploaded

See more of this Session: Workshop S4: Texas Area Workshop On Thermodynamics and Statistical Mechanics (Ticketed event - Registration required)
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