Correlations with and prediction of activation energies of gas permeation and diffusion in glassy polymers |
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| Institution: | 1. Department of Materials Science and Engineering, University of Florida, Gainesville, FL 32611, United States;2. Department of Chemistry, University of Florida, Gainesville, FL 32611, United States;3. George & Josephine Butler Polymer Research Laboratory, University of Florida, Gainesville, FL 32611, United States;4. Center for Macromolecular Science & Engineering, University of Florida, Gainesville, FL 32611, United States;1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN 46556, United States;2. Center for Energy and Environmental Resources, Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78758, United States;3. Supercomputing Center, Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China;1. Department of Materials Science and Engineering, Lehigh University, 1801 Mill Creek Road, Macungie, PA 18062, USA;2. Department of Chemical Engineering, Texas Materials Institute, Center for Energy and Environmental Research, Center for Research in Water Resources, The University of Texas at Austin, 10100 Burnet Road, Bldg 133, Austin, TX 78758, USA;1. State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, 030001, China;2. Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China;3. Innovation Center for Chemical Science, College of Chemistry, Chemical Engineering and Materials Science & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou, 215123, China;4. Guilin Electrical Equipment Scientific Research Institute Co., Ltd, Guilin, 541004, China |
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| Abstract: | Three types of novel correlations for activation energies of gas permeation EP and diffusion ED in amorphous glassy polymers are considered and their application for prediction of the EP and ED values for different gases are examined. The first one is based on application of the group contribution method. Combined consideration of the equation of free volume and Arrhenius equation results in the correlation of EP and ED with free volume Vf and fractional free volume (FFV). At last, the correlations between EP and the permeability coefficient at a certain reference temperature P(Tref), as well as ED versus D(Tref), are based on the fulfilment of the so-called compensation effect between activation energies and preexponential factors in activated processes. Examples of applicability of the correlations considered and recommendations for their use in prediction of the EP and ED values are given for transport of various gases in glassy polymers and separately in amorphous glassy polyimides. |
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