Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H

Handle URI:
http://hdl.handle.net/10754/599512
Title:
Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H
Authors:
Battocchio, Francesco; Monteiro, Paulo J.M.; Wenk, Hans-Rudolf
Abstract:
Low-Q region Rietveld analyses were performed on C-S-H synchrotron XRD patterns, using the software MAUD. Two different crystal structures of tobermorite 11 Å were used as a starting model: monoclinic ordered Merlino tobermorite, and orthorhombic disordered Hamid tobermorite. Structural modifications were required to adapt the structures to the chemical composition and the different interlayer spacing of the C-S-H samples. Refinement of atomic positions was done by using special constraints called fragments that maintain interatomic distances and orientations within atomic polyhedra. Anisotropic crystallite size refinement showed that C-S-H has a nanocrystalline disordered structure with a preferred direction of elongation of the nanocrystallites in the plane of the Ca interlayer. The quality of the fit showed that the monoclinic structure gives a more adequate representation of C-S-H, whereas the disordered orthorhombic structure can be considered a more realistic model if the lack of long-range order of the silica chain along the c-direction is assumed. © 2012 Elsevier Ltd. All rights reserved.
Citation:
Battocchio F, Monteiro PJM, Wenk H-R (2012) Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H. Cement and Concrete Research 42: 1534–1548. Available: http://dx.doi.org/10.1016/j.cemconres.2012.07.005.
Publisher:
Elsevier BV
Journal:
Cement and Concrete Research
KAUST Grant Number:
KUS-l1-004021
Issue Date:
Nov-2012
DOI:
10.1016/j.cemconres.2012.07.005
Type:
Article
ISSN:
0008-8846
Sponsors:
This publication was based on work supported in part by Award No. KUS-l1-004021, made by the King Abdullah University of Science and Technology (KAUST). The experiments at APS, beamline BESSRC 11-ID-C was supported by the U.S. DOE, Argonne National Laboratory under contract number DE-AC02-06CH11357. Also thanks to Dr. Chris Benmore for his help with the experimental measurements. We are appreciative to Dr. Luca Lutterotti for modifications of the MAUD software and advice about the analytical procedures.
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorBattocchio, Francescoen
dc.contributor.authorMonteiro, Paulo J.M.en
dc.contributor.authorWenk, Hans-Rudolfen
dc.date.accessioned2016-02-28T05:52:31Zen
dc.date.available2016-02-28T05:52:31Zen
dc.date.issued2012-11en
dc.identifier.citationBattocchio F, Monteiro PJM, Wenk H-R (2012) Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H. Cement and Concrete Research 42: 1534–1548. Available: http://dx.doi.org/10.1016/j.cemconres.2012.07.005.en
dc.identifier.issn0008-8846en
dc.identifier.doi10.1016/j.cemconres.2012.07.005en
dc.identifier.urihttp://hdl.handle.net/10754/599512en
dc.description.abstractLow-Q region Rietveld analyses were performed on C-S-H synchrotron XRD patterns, using the software MAUD. Two different crystal structures of tobermorite 11 Å were used as a starting model: monoclinic ordered Merlino tobermorite, and orthorhombic disordered Hamid tobermorite. Structural modifications were required to adapt the structures to the chemical composition and the different interlayer spacing of the C-S-H samples. Refinement of atomic positions was done by using special constraints called fragments that maintain interatomic distances and orientations within atomic polyhedra. Anisotropic crystallite size refinement showed that C-S-H has a nanocrystalline disordered structure with a preferred direction of elongation of the nanocrystallites in the plane of the Ca interlayer. The quality of the fit showed that the monoclinic structure gives a more adequate representation of C-S-H, whereas the disordered orthorhombic structure can be considered a more realistic model if the lack of long-range order of the silica chain along the c-direction is assumed. © 2012 Elsevier Ltd. All rights reserved.en
dc.description.sponsorshipThis publication was based on work supported in part by Award No. KUS-l1-004021, made by the King Abdullah University of Science and Technology (KAUST). The experiments at APS, beamline BESSRC 11-ID-C was supported by the U.S. DOE, Argonne National Laboratory under contract number DE-AC02-06CH11357. Also thanks to Dr. Chris Benmore for his help with the experimental measurements. We are appreciative to Dr. Luca Lutterotti for modifications of the MAUD software and advice about the analytical procedures.en
dc.publisherElsevier BVen
dc.subjectCalcium-silicate-hydrate (C-S-H) (B)en
dc.subjectCrystal size (B)en
dc.subjectCrystal structure (B)en
dc.subjectX-ray diffraction (B)en
dc.titleRietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-Hen
dc.typeArticleen
dc.identifier.journalCement and Concrete Researchen
dc.contributor.institutionUC Berkeley, Berkeley, United Statesen
kaust.grant.numberKUS-l1-004021en
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.