Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis

Fujiyama, S.; Yoza, K.; Kamiya, N.; Nishi, K.; Yokomori, Y.

doi:10.1107/S2052520615000256

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Adsorption structures for CO₂ on silicalite-1, with the occupancy factors given in parentheses. (a-1) Straight channel pathway, 0.5 h; (a-2) straight channel pathway, 3 h; (b-1) sinusoidal channel pathway, 0.5 h; (b-2) sinusoidal channel pathway, 3 h. (c) The equilibrium structure of unsealed silicalite-1 at 80 kPa and 298 K (Fujiyama et al., 2014a

) for comparison. The locations related to the screw axis 2₁ along the a axis and the center of symmetry in the middle of the straight channel are shown in gray and labeled with primes.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 71| Part 1| February 2015| Pages 112-118

doi:10.1107/S2052520615000256

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