| Free Volume And Transport Properties In Polymeric Materials | ||
| Xiao-Yan Wang, University of Texas at Austin, Department of Chemical Engineering, Austin, TX 78712, Benny D. Freeman, Chemical Engineering, The University of Texas at Austin, 10100 Burnet Rd., Bldg 133, Center for Energy and Environmental Resources, Austin, TX 78758 and Isaac C. Sanchez, Chemical Engineering, University of Texas at Austin, Mail Code C0400, Austin, TX 78712 Poly(dimethylsiloxane) (PDMS), a rubbery polymer, has the potential to be used in the natural gas separation due to its high gas permeability and high vapor/gas selectivity. Cavity size (free volume) distributions of PDMS are calculated at different temperatures using an energetic based cavity-sizing algorithm. Free volume of PDMS decreases with increasing temperatures. We also simulate solubility of CO2 in PDMS at different temperatures. Solubility decreases as the temperature increases. Good agreement is obtained between simulation and experimental results. Key word: Solubility, free volume, CO2. Extended Abstract Status: Not Uploaded | ||