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Using Lattice Energies to Model the Physical/Chemical Behavior of a Doped Refractory Oxide

Published online by Cambridge University Press:  29 November 2013

Scott A. Howard ,
Soon-Ho Lee  and
Robert E. Moore
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Extract

Burned periclase brick became a commonly used refractory material during the 1940s and early 1950s in the steel-making industry. Unfortunately, periclase brick easily reacts with water or water vapor and results in dimensional instability, i.e., a volume expansion. This may lead to the mechanical failure of any article made from it. Considerable research has been performed in the past 30 years to suppress the hydration susceptibility of magnesia refractory.

Boron has been found to be extremely effective in improving the hydration resistance of magnesia. It can be added to magnesite, brucite, light calcined magnesia or it can be deposited on post dead burned magnesia. However, the use of boron decreases the hot loading bearing properties of the magnesia and the dissolution of the boron into certain grades of steel may adversely affect their mechanical properties. Moreover, the addition of boron compounds requires a high-temperature calcination, normally higher than 1600°C, which has been proven uneconomical.

Other dopants, incorporated either on the surface or in the bulk, have been reported to have various effects on the hydration susceptibility. The ultimate goal of the work reported here is to determine if there is a correlation between the hydration susceptibility of MgO having various cation substitutions for Mg and the energies of the resulting lattices.

Type
Refractories
Information
MRS Bulletin , Volume 14 , Issue 11 , November 1989 , pp. 60 - 64
Copyright
Copyright © Materials Research Society 1989

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References

1.Gildersleeve, M.J. and Brook, R.J., “Fast Firing of Sea-Water Magnesia Materials,” Trans J. Brit. Ceram. Soc. 83 (1984) p. 154–157.Google Scholar
2.Fletched, B.L., Stevenson, J.R., and Whitaker, A., “Phase Equilibria in the System CaO-MgO-B2O3 at 900°C,” Trans J. Brit. Ceram. Soc. 69 (1970) p. 95–97.CrossRefGoogle Scholar
3.Kriek, H.J.S., Ford, W.F., and White, J., “The Effect of Additions on the Sintering and Dead-Burning of Magnesia,” Trans. Brit. Ceram. Soc. 58 (1959) p. 1–34.Google Scholar
4.Hyleraas, E.A., “Gleichgewichtslage der Atome, Doppelbrechung und Optisches Drehungsvermogen von β-Quartz,” Z. Physik 44 (1927) p. 871–876.CrossRefGoogle Scholar
5.Johnson, Q.C. and Templeton, D.H., “Madelung Constants for Several Structures,” J. Chem. Phys. 34 (1961) p. 2004–2007.CrossRefGoogle Scholar
6.Giese, R.F. Jr., “Electrostatic Energy of Columbite and Ixiolite,” Nature 256 p. 31–32.CrossRefGoogle Scholar
7.Brown, G.E. and Fenn, P.M., “Structure Energies of the Alkali Feldspars,” Physics and Chemistry of Minerals 4 (1979) p. 83–100.CrossRefGoogle Scholar
8.Post, J.E. and Burnham, C.W., “Disordering on High Albite-Insights from Electrostatic Energy Minimizations,” Geological Soc. of America Absts. with Programs 16 (1984) p. 625.Google Scholar
9.Post, J.E. and Burnham, C.W., “Ionic Modeling of Mineral Structures and Energies in the Electron Gas Approximation-TiO2 Polymorphs, Quartz, Forsterite, Diopside,” American Mineralogist 71 (1986) p. 142–150.Google Scholar
10.Chamberlain, , “Scapolite-Alkali Atom Configurations, Antiphase Domains, and Compositional Variations,” American Mineralogist 70 (1985) p. 134–140.Google Scholar
11.Cohen, R.E. and Burnham, C.W., “Energetics of Ordering in Aluminous Pyroxines,” American Mineralogist 70 (1985) p. 559–567.Google Scholar
12.Post, J.E. and Burnham, C.W., “Modeling Tunnel-Cation Displacements in Hollandses Using Structure-Energy Calculations,” American Mineralogist 71 (1986) p. 1178–1185.Google Scholar
13.Busing, W.R., “WMIN, A Computer Program to Model Molecules and Crystals in Terms of Potential Energy Functions,” U.S. National Technical Information Service, ORNL-5747.CrossRefGoogle Scholar
14.Bertaut, F., “L'Energie Electrostatique de Reseaux Ioniques,” J. Phys. Radium 13 (1952) p. 499–505.CrossRefGoogle Scholar
15.Kittel, C., Introduction to Solid State Physics, 5th ed. (1976) p. 88.Google Scholar
16.Gilbert, T.L., “Soft-Sphere Model for Closed Shell Atoms and Ions,” J. Chem. Phys. 49 (1968) p. 2640.CrossRefGoogle Scholar
17.Kofstad, P., Nonstoichiometry, Diffusion, and Electrical Conductivity in Binary Metal Oxides (Wiley Interscience, John Wiley & Sons, NY, 1972).Google Scholar
18.Butterfield, C. and Carlson, E.H., “Ionic Soft Sphere Parameters from Hartree-Fock-Slater Calculations,” J. Chem. Phys. 56 (1972) p. 4907–4911.CrossRefGoogle Scholar
19.Layden, G.K. and McQurrie, M.C., “Effect of Minor Additions on Sintering of MgO,” J. Amer. Ceram. Soc. 42(2) (1959) p. 89–92.CrossRefGoogle Scholar
20.Nelson, J.W. and Cutler, I.B., “Effect of Oxide Additions on Sintering of MgO,” J. Amer. Ceram. Soc. 41(10) (1958) p. 406–409.CrossRefGoogle Scholar