pubs.acs.org/Langmuir Internal Surface Modification of MFI-Type Zeolite Membranes for High Selectivity and High Flux for Hydrogen Zhong Tang and Junhang Dong* Department of Chemical and Materials Engineering, University of Cincinnati, Cincinnati, Ohio 45221 Tina M. Nenoff Surface and Interface Sciences, Sandia National Laboratories, Albuquerque, New Mexico 87185 Received February 7, 2009. Revised Manuscript Received March 18, 2009 MFI-type zeolite membranes were modified by depositing molecular silica at a small number of active sites in the internal surface by in situ catalytic cracking of silane precursor. The limited silica deposition reduced the effective size of the zeolitic channels that dramatically enhanced the H 2 selectivity without causing a large increase in H 2 transport resistance. The modified zeolite membrane achieved an extraordinary H 2 /CO 2 permselectivity of 141 with a high H 2 permeance of 3.96  10 -7 mol/m 2 3 s 3 Pa at 723 K. The effect of pore modification on the gas transport behavior was studied on the basis of single gas permeation data. The recent search for high-temperature hydrogen (H 2 )-perm- selective membranes has been largely driven by the idea to produce H 2 with simultaneous CO 2 capture through a single-step water gas shift (WGS) of fossil fuel- and biomass-derived syngas. The highly siliceous zeolite membranes are attracting growing interest because of their necessary sulfur tolerance and hydro- thermal stability not possessed by other candidates such as the palladium alloy and amorphous silica membranes. 1,2 Currently, the main challenge for the zeolite membranes is the incom- patibility between selectivity and flux for H 2 separation from the complex gas mixtures involved in the catalytic reaction systems. 2 The main components in gas streams from hydrogen produc- tion by catalytic conversion of biomass and fossil fuels include H 2 , CO 2 , CO, CH 4 ,H 2 O, and common impurity H 2 S. These small gases are essentially nonadsorbing in the siliceous zeolites at high temperature (HT) (>573 K). Therefore, HT H 2 separation through the zeolite membranes must rely on the differentiation of molecular diffusivity and/or the size exclusion effect depending on the ratio (λ) of the molecular kinetic diameter (d k ) to the membrane pore size (d p ) (i.e. λ =d k /d p ). 3-6 In recent years, the MFI-type zeolite membranes with a large Si/Al ratio and the all-silica DDR-type zeolite membranes have been particularly investigated for HT H 2 separation. 7-11 The primary mass-transport channels in MFI-type zeolites have an effective diameter of 0.56 nm, which offers high selectivity by size discrimination for critically sized molecules such as xylene iso- mers. 12 However, the transport of H 2 , CO 2 , and other small gases in the MFI zeolitic pores is dominated by activated gaseous diffusion 4,10 resulting in high permeance but low selectivity for H 2 . The DDR-type zeolite has a pore structure of cages connected by small windows with an effective size of 0.4 nm. However, the DDR-type zeolite membrane also exhibited low H 2 selectivity with high permeance because of the mesoscale intercrystalline spaces inevitably existing in the polycrystalline film. 8 Modifications of the DDR and MFI types of zeolite mem- branes have been reported in an attempt to enhance the H 2 selectivity. The DDR-type membranes were modified by counter- diffusion chemical vapor deposition (CVD) of silica using tetra- ethyl orthosilicate (TEOS) as a precursor to reduce the size of the intercrystalline pores. 8,10 The MFI-type zeolite membranes were modified by catalytic thermal cracking of preadsorbed methyl- diethoxysilane (MDES) to deposit molecular silica in the intra- crystalline pores and intercrystalline spaces. 11,13 The MDES mol- ecule is nearly linear with a kinetic size of 0.4 nm  0.91 nm, which is small enough to enter the zeolitic pores (d p = 0.56 nm). TEOS and tetramethoxyl silane (TMOS) are common precursors for the modification of MFI zeolite external surfaces and intercrystalline pores in membranes by the CVD method because these molecules are too large to enter the intracrystalline MFI zeolite pores. 14,15 The TMOS and TEOS molecules are nearly spherical with large sizes of 0.89 and 0.96 nm, respectively. 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