Characterization of active sites in zeolite catalysts

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This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Atomic-level details of the interaction of adsorbed molecules with active sites in catalysts are urgently needed to facilitate development of more effective and/or environmentally benign catalysts. To this end the authors have carried out neutron scattering studies combined with theoretical calculations of the dynamics of small molecules inside the cavities of zeolite catalysts. The authors have developed the use of H{sub 2} as a probe of adsorption sites by observing the hindered rotations of the adsorbed H{sub 2} ... continued below

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15 p.

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Eckert, J.; Bug, A. & Nicol, J.M. November 1, 1997.

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Description

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Atomic-level details of the interaction of adsorbed molecules with active sites in catalysts are urgently needed to facilitate development of more effective and/or environmentally benign catalysts. To this end the authors have carried out neutron scattering studies combined with theoretical calculations of the dynamics of small molecules inside the cavities of zeolite catalysts. The authors have developed the use of H{sub 2} as a probe of adsorption sites by observing the hindered rotations of the adsorbed H{sub 2} molecule, and they were able to show that an area near the four-rings is the most likely adsorption site for H{sub 2} in zeolite A while adsorption of H{sub 2} near cations located on six-ring sites decreases in strength as Ni {approximately} Co > Ca > Zn {approximately} Na. Vibrational and rotational motions of ethylene and cyclopropane adsorption complexes were used as a measure for zeolite-adsorbate interactions. Preliminary studies of the binding of water, ammonia, and methylamines were carried out in a number of related guest-host materials.

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15 p.

Notes

OSTI as DE98001206

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  • Other Information: PBD: [1997]

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  • Other: DE98001206
  • Report No.: LA-UR--97-3079
  • Grant Number: W-7405-ENG-36
  • DOI: 10.2172/548615 | External Link
  • Office of Scientific & Technical Information Report Number: 548615
  • Archival Resource Key: ark:/67531/metadc689777

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  • November 1, 1997

Added to The UNT Digital Library

  • Aug. 14, 2015, 8:43 a.m.

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  • May 20, 2016, 2:32 p.m.

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Eckert, J.; Bug, A. & Nicol, J.M. Characterization of active sites in zeolite catalysts, report, November 1, 1997; New Mexico. (digital.library.unt.edu/ark:/67531/metadc689777/: accessed September 22, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.