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Nevertheless, anatase is often the first titanium dioxide phase to form in many processes due to its lower surface energy, with a transformation to rutile taking place at elevated temperatures. [7] Although the degree of symmetry is the same for both anatase and rutile phases, there is no relation between the interfacial angles of the two ...
A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics .
Efforts to develop functional photocatalysts often emphasize extending exciton lifetime, improving electron-hole separation using diverse approaches that may rely on structural features such as phase hetero-junctions (e.g. anatase-rutile interfaces), noble-metal nanoparticles, silicon nanowires and substitutional cation doping. [23]
Ultrafine anatase form is precipitated from sulfate solution and ultrafine rutile from chloride solution. In the chloride process, natural or synthetic rutile is chlorinated at temperatures of 850–1000 °C, and the titanium tetrachloride is converted to the ultrafine anatase form by vapor-phase oxidation. [6]: 1–2
Rutile is the next most abundant and contains around 98% titanium dioxide in the ore. The metastable anatase and brookite phases convert irreversibly to the equilibrium rutile phase upon heating above temperatures in the range 600–800 °C (1,110–1,470 °F). [14]
The phase diagram shows, in pressure–temperature space, the lines of equilibrium or phase boundaries between the three phases of solid, liquid, and gas. The curves on the phase diagram show the points where the free energy (and other derived properties) becomes non-analytic: their derivatives with respect to the coordinates (temperature and ...
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others). In 1988, it was ...
This is the case for anatase, a metastable polymorph of titanium dioxide, which despite commonly being the first phase to form in many synthesis processes due to its lower surface energy, is always metastable, with rutile being the most stable phase at all temperatures and pressures. [1]