By Ingo Pinnau and Benny D. Freeman (Eds.)
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Extra resources for Advanced Materials for Membrane Separations
The solvation enthalpies (or partial heats of gas sorption) are endothermic for gases with a critical temperature, T , below approximately 150 K and exothermic for the higher Tc gases. c Table I. 6 NOTE: The gas critical temperatures are obtained from the gas Lennard-Jones model parameter 8 /k used in this study (5). 2 ps. The numbers in parenthesis denote the statistical inaccuracy. s The solvation enthalpies are small (in absolute number) compared to the contributions of polymer reorganization and penetrant binding.
Purif. Tech. 2001, 25, 181193. 22. ; Wessling, M. AIChEJ. 2001, 47, 10881093. 23. White, L. ; Blinka, T. ; Kloczewski, H . ; Wang, I. J. Membrane Sci. 1995, 103, 73-82. 24. Lee, S. ; Minhas, B. ; Donohue, M. D. AIChE Symp. Ser. 1988, 84, 93101. 25. Eldridge, B . R, Ind. Eng. Chem. Res. 1993, 32, 2208-2212. 26. Staudt-Bickel, C ; Koros, W. J. J. Membrane Sci. 2000, 170, 205-214. 27. Okamoto, K . - I . ; Kusuki, Y . Ind Eng. Chem. Res. 1999, 38, 4424-4432. 28. ; DaCosta, A . ; Amo, K . ; Daniels, R.
2001, 188, 115-128. 76. ; Belfer, S. ; Nyström, M . Desalination 2001, 140, 167-179. 77. Freger, V . ; Belfer, S. J. Membrane Sci. 2002, 209, 283-292. 78. ; Hirose, M . Desalination 1998, 119, 47-55. 79. Hachisuka, H . ; Ikeda, K . US Patent 6,177,011, 2001. 80. E. US. Patent 6,280,853, 2001. ; ACS Symposium Series; American Chemical Society: Washington, DC, 2004. Chapter 2 Molecular Simulation of Gas Sorption and Diffusion in Silicon-Based Polymers J. R. ch002 Center for Computer-Aided Molecular Design, Department of Chemical and Materials Engineering, University of Cincinnati, Cincinnati, O H 45221-0171 Molecular dynamics, Grand Canonical Monte Carlo, and Transition-State Theory (TST) simulations employing the C O M P A S S force field have be used to explore gas diffusion, solubility, and free volume in polydimethylsiloxane (PDMS), polydimethylsilmethylene ( P D M S M ) , and four asym metrically-substituted polysilanes — polyphenylmethyl-silane, polycyclohexylmethylsilane, poly(n-propylmethyl-silane), and polytrifluoropropylmethylsilane.
Advanced Materials for Membrane Separations by Ingo Pinnau and Benny D. Freeman (Eds.)