X-ray diffraction（XRD） and crystal structure analysis were used to study the effects of Mg content and cooling rate on the titanium phase transformation of three types of titanium slag. The results indicate that in ...X-ray diffraction（XRD） and crystal structure analysis were used to study the effects of Mg content and cooling rate on the titanium phase transformation of three types of titanium slag. The results indicate that in the rapid cooling process, the titanium phase is anosovite, whose chemical formula is MgnTi（3-n）O5（0n1）. In the slow cooling process, when the Mg content is high, anosovite transforms into karrooite MgTi2O5 structure; when the Mg content is low, karrooite MgTi2O5 and rutile TiO2 both exist. The stability of karrooite MgTi2O5 is better than that of anosovite MgnTi（3-n）O5. Slow cooling contributes to the doping of Mg into the anosovite crystal and stabilises the anosovite crystal structure.展开更多
The effect of rutile crystal shapes on its settlement in a modified slag was studied by theoretical analysis,FactSage simulation,X-ray diffraction and scanning electron microscopy.The results show that the settling ve...The effect of rutile crystal shapes on its settlement in a modified slag was studied by theoretical analysis,FactSage simulation,X-ray diffraction and scanning electron microscopy.The results show that the settling velocities of spherical rutile crystals are faster than those of other shapes of rutile crystals under the same volume conditions,and the shape transformation of rutile crystals from rod to sphere can be achieved by adding titanium slag to Ti-bearing blast furnace slag.The volume fractions of the rutile crystals in the upper and lower parts of the modified slag are 30%and 71%when the added titanium slag increases to 278 g,indicating that rutile settling is obvious.Due to the rutile settling,half shaker sorting task is saved,and the recovery rate of TiO2 is significantly increased.The TiO2 content of rutile is greater than 93%,and the total content of CaO and MgO is less than 0.4%,meeting the requirements for the raw materials of titanium white in the chloride process.展开更多
This paper presents the results of molecular dynamics (MD) simulation on the rutile titanium dioxide and potassium hexatitanate (K2O.6TiO2 or K2Ti6O13) crystal. The interaction of atoms is described by two-body centra...This paper presents the results of molecular dynamics (MD) simulation on the rutile titanium dioxide and potassium hexatitanate (K2O.6TiO2 or K2Ti6O13) crystal. The interaction of atoms is described by two-body central force interatomic potential, which includes Coulombic term, Gilbert-type repulsion term, van der Waals term and Morse-type potential. The optimized crystal structure of rutile TiO2 is in very good agreement with the experimental data in the literature. The present MD simulation also gives several physical properties, including volume thermal expansivity and elastic bulk modulus.展开更多
基金Project(51090385)supported by the National Natural Science Foundation of China
文摘X-ray diffraction（XRD） and crystal structure analysis were used to study the effects of Mg content and cooling rate on the titanium phase transformation of three types of titanium slag. The results indicate that in the rapid cooling process, the titanium phase is anosovite, whose chemical formula is MgnTi（3-n）O5（0n1）. In the slow cooling process, when the Mg content is high, anosovite transforms into karrooite MgTi2O5 structure; when the Mg content is low, karrooite MgTi2O5 and rutile TiO2 both exist. The stability of karrooite MgTi2O5 is better than that of anosovite MgnTi（3-n）O5. Slow cooling contributes to the doping of Mg into the anosovite crystal and stabilises the anosovite crystal structure.
基金Project(2015BAB18B00)supported by the National Science and Technology Support Program of China。
文摘The effect of rutile crystal shapes on its settlement in a modified slag was studied by theoretical analysis,FactSage simulation,X-ray diffraction and scanning electron microscopy.The results show that the settling velocities of spherical rutile crystals are faster than those of other shapes of rutile crystals under the same volume conditions,and the shape transformation of rutile crystals from rod to sphere can be achieved by adding titanium slag to Ti-bearing blast furnace slag.The volume fractions of the rutile crystals in the upper and lower parts of the modified slag are 30%and 71%when the added titanium slag increases to 278 g,indicating that rutile settling is obvious.Due to the rutile settling,half shaker sorting task is saved,and the recovery rate of TiO2 is significantly increased.The TiO2 content of rutile is greater than 93%,and the total content of CaO and MgO is less than 0.4%,meeting the requirements for the raw materials of titanium white in the chloride process.
基金Supported by the Natural Science Foundation of Jiangsu Province(BK97124)the Outstanding Youth Fund of National Natural Science Foundation of China(No.29925616)and the National Natural Science Foundation of China(No.20246002 and No.20236010).
文摘This paper presents the results of molecular dynamics (MD) simulation on the rutile titanium dioxide and potassium hexatitanate (K2O.6TiO2 or K2Ti6O13) crystal. The interaction of atoms is described by two-body central force interatomic potential, which includes Coulombic term, Gilbert-type repulsion term, van der Waals term and Morse-type potential. The optimized crystal structure of rutile TiO2 is in very good agreement with the experimental data in the literature. The present MD simulation also gives several physical properties, including volume thermal expansivity and elastic bulk modulus.
