Diffusion pathway for propylene adsorption in AlPO-14 characterized by molecular modeling and in situ synchrotron powder diffraction
The detailed structures of AlPO-14 in N2, propane and propylene were determined under various pressures and temperatures using an in situ reactor and synchrotron radiation. N2 and propane did not significantly modify the AlPO-14 structure, whereas complex changes were observed on adsorption of propylene. For samples with high propylene loading, the locations of the propylene molecules in the pores were found by difference Fourier analyses and refined by Rietveld methods. Theoretical modeling using the determined structures showed that <11- 1> is the most likely diffusion path for propylene in AlPO-14. The adsorption of propylene appeared to modify the pore openings and retard desorption.
R. W. Broach M. G. Gatter N. Greenlay S. T. Wilson N. Yang J. Karapetrova P. Zschack
UOP LLC, 25 E. Algonquin Rd, Des Plaines, IL, USA 60017 Bruker AXS, Inc., 5465 East Cheryl Parkway, Madison, WI 53711-5373 Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439
国际会议
北京
英文
2007-08-12（万方平台首次上网日期，不代表论文的发表时间）