Abstract
The importance of computed X-ray diffraction patterns of various polymorphs of alite (\({\bf \emph{M}_{3}, \emph{T}_{1}, \emph{R}}\)), belite (\(\boldsymbol{\beta}\), \(\boldsymbol{\gamma}\)), aluminate (cubic, orthorhombic), aluminoferrite, gypsum and hemihydrate in the quantitative phase analysis of cement and its early stage hydration performance is highlighted in this work with three OPC samples. The analysis shows that the predominant silicate phases present in all the samples are \({\bf \emph{M}_{3}}\)-alite phase and \(\boldsymbol{\beta}\)-belite phase, respectively. Both cubic and orthorhombic phases of C 3 A, brownmillerite, gypsum and hemihydrates are present at different levels. Quantitative phase analysis of cement by Rietveld refinement method provides more accurate and comprehensive data of the phase composition compared to Bogue method. The comparative hydration performance of these samples was studied with \({\bf \emph{w/c}}\) ratio, 0·5 and the results are interpreted in the light of difference in phase compositions viz. \(\boldsymbol{\beta}\)-C 2 S/C 3 S ratio, fraction of finer cement particles present in the samples and theoretical modeling of C 3 S hydration.
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References
Benzou C, Nonat A J and Mutin C 1995 J. Solid State Chem. 117 165
Bish D L and Howard S A 1988 J. Appl. Crystallogr. 21 86
Bogue R H 1955 The chemistry of Portland cement (New York: Reinhold Publication) 2nd ed.
Colville A A and Geller S 1971 Acta Crystallogr. B27 2311
Costa U and Marchi M 2003 Proceedings of 11th ICCC (Durban) p. 151
Cullity B D 1978 Elements of X-ray diffraction (USA: Addison-Wesley) 2nd ed.
De La Torre A G, Cabeza A, Calvente A, Bruque S and Aranda M A G 2001 Anal. Chem. 73 151
De La Torre A G, Bruque S, Campo J and Aranda M A G 2002 Cem. Concr. Res. 32 1347
Ferraris C F, Hackley V A and Aviles A I 2004 Cem. Concr. Aggr. 26 1
Golovastikov N I, Matveeva R G and Belov N V 1975 Sov. Phys. Crystallogr. 20 441
Hewlett P C (ed.) 1988 Lea’s chemistry of cement and concrete(Oxford: Elsevier Butterworth-Heinemann) 4th ed.
Hill R J and Howard C J 1987 J. Appl. Crystallogr. 20 467
Inorganic Crystal Structure Database: http://www.icsd.iqfr.csic.es/index.html
Jost K H, Ziemer B and Seydel R 1977 Acta Crystallogr. B33 1696
Mondal P and Jeffery J W 1975 Acta Crystallogr. B31 689
Mumme W G 1995 Neues. Jahrb. Mineral. Monatsh 145
Nishi F and Takeuchi Y 1975 Acta Crystallogr. B31 1169
Nishi F and Takeuchi Y 1984 Z. Kristallogr. 168 197
Okada K and Ossaka J 1980 Acta Crystallogr. B36 919
Osbeck B and Jons E S 1980 Proceedings of 7th ICCC II II135
Peterson V K 2003 Diffraction investigation of cement clinker and tricalcium silicate using Rietveld analysis, PhD thesis, University of Technology, Sydney, Australia
Pommersheim J M and Clifton J R 1979 Cem. Concr. Res. 9 765
Pommersheim J M and Clifton J R 1982 Cem. Concr. Res. 12 765
Rodríguez-Carvajal J. Fullprof 2000 (version 4.30 Apr. 2008): http://www.ill.eu/sites/fullprof/
Rietveld H M 1969 J. Appl. Crystallogr. 2 65
Schofield P F, Knight K S and Stretton I C 1996 Am. Mineral. 81 847
Scrivener K L, Füllmann, T, Gallucci E, Walenta G and Bermejo E 2004 Cem. Concr. Res. 34 1541
Stutzman P E 1996 Guide for X-ray powder diffraction analysis of Portland cement and clinker, NISTIR 5755
Taylor H F W 1997 Cement chemistry (London: Thomas Telford) 2nd ed.
Taylor J C and Hinezak I 2004 Rietveld made easy (Canberra, Australia: Sietronics)
Udagawa S, Urabe K, Natsume M and Yano T 1980 Cem. Concr. Res. 10 139
Young R A (ed.) 1993 The Rietveld method, IUCr monographs on crystallography-5 (New York: Oxford Science)
Young R A, Mackie P E and Von Dreele R B 1977 J. Appl. Crystallogr. 10 262
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JADHAV, R., DEBNATH, N.C. Computation of X-ray powder diffractograms of cement components and its application to phase analysis and hydration performance of OPC cement. Bull Mater Sci 34, 1137–1150 (2011). https://doi.org/10.1007/s12034-011-0134-0
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DOI: https://doi.org/10.1007/s12034-011-0134-0