Rutile properties

Physical and Chemical Properties. Titanium dioxide [13463-67-7] occurs in nature in three crystalline forms anatase [1317-70-0] brookite [12188-41 -9] and mtile [1317-80-2]. These crystals are essentially pure titanium dioxide but contain small amounts of impurities, such as iron, chromium, or vanadium, which darken them. Rutile is the thermodynamically stable form at all temperatures and is one of the two most important ores of titanium. 

Property TiO (B) Anatase Brookite Rutile a-Pb02 form... 

The main electroceramic apphcations of titanium dioxide derive from its high dielectric constant (see Table 6). Rutile itself can be used as a dielectric iu multilayer capacitors, but it is much more common to use Ti02 for the manufacture of alkaline-earth titanates, eg, by the cocalciuation of barium carbonate and anatase. The electrical properties of these dielectrics are extremely sensitive to the presence of small (<20 ppm) quantities of impurities, and high performance titanates require consistently pure (eg, >99.9%) Ti02- Typical products are made by the hydrolysis of high purity titanium tetrachloride. 

The catalytic properties of the shock-modified rutile whose defect properties have been reported in previous sections of this chapter have been studied in a flow reactor used to measure the oxidation of CO by Williams and coworkers [82G01, 86L01]. As shown in Fig. 7.7 the effect of shock activation is substantial. Whereas the unshocked material displays such low activity that an effect could only be observed at the elevated temperature of 400 °C, the shock-modified powder shows substantially enhanced catalytic activity with the extent of the effect depending on the shock pressure. After a short-time transient is annealed out, the activity is persistent for about 8 h. Although the source of the surface defects that cause the activity is not identified, the known annealing behavior of the point defects indicates that they are not responsible for the effect. 

Titanium dioxide exists in nature as three different polymorphs rutile, anatase and brookite. This material has been extensively studied during the last few decades due to its interesting physical properties and numerous technological applications. Rutile and anatase (a popular white pigment) are widely used in photocataly s and as sensors. Both of them have had new structural and electronic applications suggested recently (see for a review). 

Numerous theoretical and experimental studies have dealt with the properties of rutile (see 3 and references therein), while the other polymorphs have attracted less attention. This is due to the fact that rutile is easier to grow and characterize, and has a simpler structure that can be readily investigated using a variety of theoretical techniques. The fact that the experimentally reported bulk modulus of anatase is in the range from 59 GPa to 360 GPa illustrates the need for further studies of titanium dioxide polymorphs. 

This paper presents the results of ab initio calculation investigating the pressure dependence of properties of rutile, anatase and brookite, as well as of columbite and hypothetical fluorite phases. The main emphasis is on lattice properties since it was possible to locate transitions and investigate transformation precursors by using constant-pressure optimization algorithm. 

Present in the next sections are the LDA results for equilibrium structure, pressure-induced transitions and electronic properties of various polymorphs, and the comparative analysis of the results for rutile and anatase that were obtained using LDA and GGA forms of the exchange-correlation potential. 

S.-D. Mo and W.Y. Ching, Electronic and optical properties of three phases of titanium dioxide Rutile,... 

Titanium, Ti, a light, strong metal, is used where these properties are critical— in widely diverse applications such as jet engines and dental fixtures such as partial plates. Although titanium is relatively reactive, unlike scandium it is resistant to corrosion because it is passivated by a protective skin of oxide on its surface. The principal sources of the metal are the ores ilmenite, FeTiO , and rutile, Ti02. 

The elucidation of the factors determining the relative stability of alternative crystalline structures of a substance would be of the greatest significance in the development of the theory of the solid state. Why, for example, do some of the alkali halides crystallize with the sodium chloride structure and some with the cesium chloride structure Why does titanium dioxide under different conditions assume the different structures of rutile, brookite and anatase Why does aluminum fluosilicate, AljSiCV F2, crystallize with the structure of topaz and not with some other structure These questions are answered formally by the statement that in each case the structure with the minimum free energy is stable. This answer, however, is not satisfying what is desired in our atomistic and quantum theoretical era is the explanation of this minimum free energy in terms of atoms or ions and their properties. 

The band gap energy of modified catalysts decreased down to 1.6 eV, and the basic structure and physical properties of the catalysts were not changed during modification process. All of the synthesized Ti02 were anatase structure but commercial Ti02 were contained 30% rutile structure. However, the catalytic activity of modified catalysts using two different Ti02 were almost the same in this reaction conditions. 

The properties of titania particles were investigated using X-ray diffraction (XRD, Model D/MAX-RB, Rigaku Ltd.), scanning electron microscopy (SEM, Model 535M, Philips Ltd.), transmission electron microscopy (TEM, Model 2000EX, JEOL Ltd.). The crystallite sizes were estimated by Scherrer s equation and the composition of rutile phase in titania were estimated from the respective integrated XRD peak intensities. 

Titanium dioxide (E171, Cl white 6) is a white, opaque mineral occurring naturally in three main forms rutile, anatase, and brookite. More than 4 million tons of titanium dioxide are produced per year and it is widely used for industrial applications (paints, inks, plastics, textiles) and in small amounts as a food colorant. ° "° Production and properties — Titanium oxide is mainly produced from ilmenite, a titaniferous ore (FeTiOj). Rutile and anatase are relatively pure titanium dioxide (Ti02) forms. Titanium oxide pigment is produced via chloride or sulfate processes via the treatment of the titanium oxide ore with chlorine gas or sulfuric acid, followed by a series of purification steps. High-purity anatase is preferred for utilization in the food industry. It may be coated with small amounts of alumina or silica to improve technological properties. 

The electrostatic separation method is the exclusive choice in some specific situations, for example in the cases of rutile and ilmenite deposits. These deposits generally contain minerals of similar specific gravities and similar surface properties so that processes such as flotation are unsuitable for concentration. The major application of electrostatic separation is in the processing of beach sands and alluvial deposits containing titanium minerals. Almost all the beach sand plants in the world use electrostatic separation to separate rutile and ilmenite from zircon and monazite. In this context the flowsheet given later (see Figure 2.35 A) may be referred to. Electrostatic separation is also used with regard to a number of other minerals. Some reported commercial separations include those of cassiterite from scheelite, wolframite from quartz, cassiterite from columbite, feldspar from quartz and mica, and diamond from heavy associated minerals. Electrostatic separation is also used in industrial waste recovery. 

Ta/Nb minerals often occur as impurities in ilmenite, rutile, cassiterite, wolframite and perovskite, most of which contain REE. Because tantalite and columbite have similar chemical properties, they often replace each other, and are usually found as isomorph mixtures. Tantalum and niobium can also be found as separate minerals. Tantalite and microlite are primary sources of tantalum. 

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