An Ultrahigh CO2-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures

Marqueño, Tomas; Santamaria-Perez, David; Ruiz-Fuertes, Javier; Chuliá-Jordán, Raquel; Jordá, Jose L.; Rey, Fernando; McGuire, Chris; Kavner, Abby; MacLeod, Simon; Daisenberger, Dominik; Popescu, Catalin; Rodriguez-Hernandez, Placida; Muñoz, Alfonso

doi:10.1021/acs.inorgchem.8b00523

Title: An Ultrahigh CO₂-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures

Journal Article · 07 May 2018 · Inorganic Chemistry

DOI: https://doi.org/10.1021/acs.inorgchem.8b00523 · OSTI ID:1459955

Marqueño, Tomas ^[1];

^[1]; Ruiz-Fuertes, Javier ^[2]; Chuliá-Jordán, Raquel ^[1];

^[3]; Rey, Fernando ^[3]; McGuire, Chris ^[4]; Kavner, Abby ^[4]; MacLeod, Simon ^[5]; Daisenberger, Dominik ^[6]; Popescu, Catalin ^[7]; Rodriguez-Hernandez, Placida ^[8];

^[8]

Univ. de Valencia (Spain)
Univ. de Valencia (Spain); Univ. de Cantabria, Santander (Spain)
Univ. Politècnica de València (Spain)
Univ. of California, Los Angeles, CA (United States)
Atomic Weapons Establishment (AWE), Reading (United Kingdom); Imperial College, London (United Kingdom)
Diamond Light Source, Didcot, Oxon (United Kingdom)
CELLS-ALBA Synchrotron, Barcelona (Spain)
Univ. de La Laguna, Tenerife (Spain)

We report the formation of an ultrahigh CO₂-loaded pure-SiO₂ silicalite-1 structure at high pressure (0.7 GPa) from the interaction of empty zeolite and fluid CO₂ medium. The CO₂-filled structure was characterized in situ by means of synchrotron powder X-ray diffraction. Rietveld refinements and Fourier recycling allowed the location of 16 guest carbon dioxide molecules per unit cell within the straight and sinusoidal channels of the porous framework to be analyzed. The complete filling of pores by CO₂ molecules favors structural stability under compression, avoiding pressure-induced amorphization below 20 GPa, and significantly reduces the compressibility of the system compared to that of the parental empty one. Additionally, the structure of CO₂-loaded silicalite-1 was monitored at high pressures and temperatures, and its thermal expansivity was estimated.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: European Regional Development Fund (ERDF); Ministry of Economy and Competitiveness (MINECO); National Science Foundation (NSF); Severo Ochoa; State Research Agency (AEI); USDOE Office of Science (SC); University of Valencia

Grant/Contract Number:: AC02-06CH11357; FG02-94ER14466

OSTI ID:: 1459955

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 11 Vol. 57; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Adsorption
Chemical structure
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Zeolites

Title: An Ultrahigh CO2-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures

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Title: An Ultrahigh CO₂-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures