Transport Properties of Thermoplastic R-BAPB Polyimide: Molecular Dynamics Simulations and Experiment.

ABSTRACT: The present work evaluates the transport properties of thermoplastic R-BAPB polyimide based on 1,3-bis(3,3',4,4'-dicarboxyphenoxy)benzene (dianhydride R) and 4,4'-bis(4-aminophenoxy)biphenyl (diamine BAPB). Both experimental studies and molecular dynamics simulations were applied to estimate the diffusion coefficients and solubilities of various gases, such as helium (He), oxygen (O2), nitrogen (N2), and methane (CH4). The validity of the results obtained was confirmed by studying the correlation of the experimental solubilities and diffusion coefficients of He, O2, and N2 in R-BAPB, with their critical temperatures and the effective sizes of the gas molecules, respectively. The solubilities obtained in the molecular dynamics simulations are in good quantitative agreement with the experime

SUBMITTER: Volgin IV 

PROVIDER: S-EPMC6918166 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature