Calcium Sulfoaluminate Sodalite (Ca 4 Al 6 O 12 SO 4 ) Crystal Structure Evaluation and Bulk Modulus Determination

Handle URI:
http://hdl.handle.net/10754/597703
Title:
Calcium Sulfoaluminate Sodalite (Ca 4 Al 6 O 12 SO 4 ) Crystal Structure Evaluation and Bulk Modulus Determination
Authors:
Hargis, Craig W.; Moon, Juhyuk; Lothenbach, Barbara; Winnefeld, Frank; Wenk, Hans-Rudolf; Monteiro, Paulo J. M.
Abstract:
The predominant phase of calcium sulfoaluminate cement, Ca 4(Al6O12)SO4, was investigated using high-pressure synchrotron X-ray diffraction from ambient pressure to 4.75 GPa. A critical review of the crystal structure of Ca4(Al 6O12)SO4 is presented. Rietveld refinements showed the orthorhombic crystal structure to best match the observed peak intensities and positions for pure Ca4(Al6O 12)SO4. The compressibility of Ca4(Al 6O12)SO4 was studied using cubic, orthorhombic, and tetragonal crystal structures due to the lack of consensus on the actual space group, and all three models provided similar results of 69(6) GPa. With its divalent cage ions, the bulk modulus of Ca4(Al6O 12)SO4 is higher than other sodalites with monovalent cage ions, such as Na8(AlSiO4)6Cl2 or Na8(AlSiO4)6(OH)2·H 2O. Likewise, comparing this study to previous ones shows the lattice compressibility of aluminate sodalites decreases with increasing size of the caged ions. Ca4(Al6O12)SO4 is more compressible than other cement clinker phases such as tricalcium aluminate and less compressible than hydrated cement phases such as ettringite and hemicarboaluminate. © 2013 The American Ceramic Society.
Citation:
Hargis CW, Moon J, Lothenbach B, Winnefeld F, Wenk H-R, et al. (2013) Calcium Sulfoaluminate Sodalite (Ca 4 Al 6 O 12 SO 4 ) Crystal Structure Evaluation and Bulk Modulus Determination . J Am Ceram Soc 97: 892–898. Available: http://dx.doi.org/10.1111/jace.12700.
Publisher:
Wiley-Blackwell
Journal:
Journal of the American Ceramic Society
KAUST Grant Number:
KUS-l1-004021
Issue Date:
12-Dec-2013
DOI:
10.1111/jace.12700
Type:
Article
ISSN:
0002-7820
Sponsors:
Supported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST). C.W. Hargis was supported by the Berkeley Fellowship for Graduate Study and the Carlson-Polivka Fellowship. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. C.W. Hargis thanks Dr. Rae Taylor and Prof. Wulf Depmeier for their insightful discussions.
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Full metadata record

DC FieldValue Language
dc.contributor.authorHargis, Craig W.en
dc.contributor.authorMoon, Juhyuken
dc.contributor.authorLothenbach, Barbaraen
dc.contributor.authorWinnefeld, Franken
dc.contributor.authorWenk, Hans-Rudolfen
dc.contributor.authorMonteiro, Paulo J. M.en
dc.date.accessioned2016-02-25T12:44:43Zen
dc.date.available2016-02-25T12:44:43Zen
dc.date.issued2013-12-12en
dc.identifier.citationHargis CW, Moon J, Lothenbach B, Winnefeld F, Wenk H-R, et al. (2013) Calcium Sulfoaluminate Sodalite (Ca 4 Al 6 O 12 SO 4 ) Crystal Structure Evaluation and Bulk Modulus Determination . J Am Ceram Soc 97: 892–898. Available: http://dx.doi.org/10.1111/jace.12700.en
dc.identifier.issn0002-7820en
dc.identifier.doi10.1111/jace.12700en
dc.identifier.urihttp://hdl.handle.net/10754/597703en
dc.description.abstractThe predominant phase of calcium sulfoaluminate cement, Ca 4(Al6O12)SO4, was investigated using high-pressure synchrotron X-ray diffraction from ambient pressure to 4.75 GPa. A critical review of the crystal structure of Ca4(Al 6O12)SO4 is presented. Rietveld refinements showed the orthorhombic crystal structure to best match the observed peak intensities and positions for pure Ca4(Al6O 12)SO4. The compressibility of Ca4(Al 6O12)SO4 was studied using cubic, orthorhombic, and tetragonal crystal structures due to the lack of consensus on the actual space group, and all three models provided similar results of 69(6) GPa. With its divalent cage ions, the bulk modulus of Ca4(Al6O 12)SO4 is higher than other sodalites with monovalent cage ions, such as Na8(AlSiO4)6Cl2 or Na8(AlSiO4)6(OH)2·H 2O. Likewise, comparing this study to previous ones shows the lattice compressibility of aluminate sodalites decreases with increasing size of the caged ions. Ca4(Al6O12)SO4 is more compressible than other cement clinker phases such as tricalcium aluminate and less compressible than hydrated cement phases such as ettringite and hemicarboaluminate. © 2013 The American Ceramic Society.en
dc.description.sponsorshipSupported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST). C.W. Hargis was supported by the Berkeley Fellowship for Graduate Study and the Carlson-Polivka Fellowship. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. C.W. Hargis thanks Dr. Rae Taylor and Prof. Wulf Depmeier for their insightful discussions.en
dc.publisherWiley-Blackwellen
dc.titleCalcium Sulfoaluminate Sodalite (Ca 4 Al 6 O 12 SO 4 ) Crystal Structure Evaluation and Bulk Modulus Determinationen
dc.typeArticleen
dc.identifier.journalJournal of the American Ceramic Societyen
dc.contributor.institutionCivil and Environmental Engineering; University of California at Berkeley; Berkeley California 94720en
dc.contributor.institutionEmpa; Laboratory for Concrete and Construction Chemistry; Dübendorf 8600 Switzerlanden
dc.contributor.institutionEarth and Planetary Science; University of California at Berkeley; Berkeley California 94720en
kaust.grant.numberKUS-l1-004021en
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