Cavity size, sorption and transport characteristics of thermally rearranged (TR) polymers
作者： Yingying Jiang , Frank T. Willmore , David Sanders , Zachary P. Smith , Claudio P. Ribeiro
DOI: 10.1016/J.POLYMER.2011.02.035
关键词:
摘要: Abstract Within a polymer thin film, free volume elements have wide range of size and topology. This broad element sizes determines the ability for to perform molecular separations. Herein, six permeable thermally rearranged (TR) polymers their precursors were studied. Using atomistic models, cavity (free volume) distributions determined by combination dynamics Monte Carlo methods consistent with experimental observation that TR are more than precursors. The simulation also positron annihilation lifetime spectroscopy. diffusion, solubility permeation gases in simulated at 308 K, results agree qualitatively data.
elsevier.com
sci-hub.se 参考文章(56)
Malay K. Ghosh, K. L. Mittal, Polyimides: Fundamentals and Applications ,(1996)
Scott Matteucci, Yuri Yampolskii, Benny D. Freeman, Ingo Pinnau, Transport of Gases and Vapors in Glassy and Rubbery Polymers John Wiley & Sons, Ltd. pp. 1- 47 ,(2006) , 10.1002/047002903X.CH1
Ho Bum Park, Sang Hoon Han, Chul Ho Jung, Young Moo Lee, Anita J. Hill, Thermally rearranged (TR) polymer membranes for CO2 separation Journal of Membrane Science. ,vol. 359, pp. 11- 24 ,(2010) , 10.1016/J.MEMSCI.2009.09.037
Yoshinori Tamai, Hideki Tanaka, Koichiro Nakanishi, Molecular Simulation of Permeation of Small Penetrants through Membranes. 1. Diffusion Coefficients Macromolecules. ,vol. 27, pp. 4498- 4508 ,(1994) , 10.1021/MA00094A011
R. M. Barrer, J. A. Barrie, J. Slater, Sorption and diffusion in ethyl cellulose. Part III. Comparison between ethyl cellulose and rubber Journal of Polymer Science. ,vol. 27, pp. 177- 197 ,(1958) , 10.1002/POL.1958.1202711515
Florian Mueller-Plathe, Stephen C. Rogers, Wilfred F. Van Gunsteren, Diffusion coefficients of penetrant gases in polyisobutylene can be calculated correctly by molecular-dynamics simulations Macromolecules. ,vol. 25, pp. 6722- 6724 ,(1992) , 10.1021/MA00050A054
M. Eldrup, D. Lightbody, J.N. Sherwood, The temperature dependence of positron lifetimes in solid pivalic acid Chemical Physics. ,vol. 63, pp. 51- 58 ,(1981) , 10.1016/0301-0104(81)80307-2
Florian Müller‐Plathe, Stephen C. Rogers, Wilfred F. van Gunsteren, Gas sorption and transport in polyisobutylene: Equilibrium and nonequilibrium molecular dynamics simulations Journal of Chemical Physics. ,vol. 98, pp. 9895- 9904 ,(1993) , 10.1063/1.464369
D. S. Pope, I. C. Sanchez, W. J. Koros, G. K. Fleming, Statistical thermodynamic interpretation of sorption/dilation behavior of gases in silicone Rubber Macromolecules. ,vol. 24, pp. 1779- 1783 ,(1991) , 10.1021/MA00008A014
Xiao-Yan Wang, Frank T. Willmore, Roy D. Raharjo, Xiaochu Wang, Benny D. Freeman, Anita J. Hill, Isaac C. Sanchez, Molecular Simulations of Physical Aging in Polymer Membrane Materials Journal of Physical Chemistry B. ,vol. 110, pp. 16685- 16693 ,(2006) , 10.1021/JP0622334