Molecular dynamics simulations of the x CaO (1- x )SiO 2 melts ( x varying with the composition of melt) were performed to achieve some structural information. It is found that the first peak positions of Si Si, Si O ...Molecular dynamics simulations of the x CaO (1- x )SiO 2 melts ( x varying with the composition of melt) were performed to achieve some structural information. It is found that the first peak positions of Si Si, Si O and O O partial radial distribution functions RDFs(3.165 ?, 1.612 ? and 2.6 ?)agree very well with those of x ray diffraction experiments. The discovered relation of coordinate number N Si Si ( r 0) with the molar ratio of CaO is linear and the slope is -0.056 17. The average bond lengths of Si O b and Si O nb are 1.6275～1.630 ? and 1.595～1.60 ?, respectively. Both distribution curves of the angles O Si O and Si O Si show one peak. For the distribution of angle O Si O the positions of the peaks are just a little less than the typical tetrahedral angle 109.5°. And for angle Si O Si the positions of peaks fluctuate in the range from 148° to 151°. At last, the distribution of five Si O tetrahedra was obtained and discussed.展开更多
The dissolution of alumina-based refractory ceramics in CaO-Al2O3-SiO_(2)slag melts was performed based on the in-situ observation system of an ultra-high-temperature laser confocal microscope,and the effect of the Ca...The dissolution of alumina-based refractory ceramics in CaO-Al2O3-SiO_(2)slag melts was performed based on the in-situ observation system of an ultra-high-temperature laser confocal microscope,and the effect of the CaO/SiO_(2)slag mass ratio(C/S ratio)on the dissolution rate of alumina-based refractory ceramics was investigated.The results indicate that the dissolution rate increases with an increase of the C/S ratio and is mainly controlled by diffusion.During the early stage of dissolution,for all C/S ratios,the dissolution process conforms to the classical invariant interface approximation model.During the later stage of dissolution,when the C/S ratio is≥6,the dissolution process is significantly different from the model above because of the formation of a thick interfacial layer,which can be explained by dissolution kinetics.展开更多
文摘Molecular dynamics simulations of the x CaO (1- x )SiO 2 melts ( x varying with the composition of melt) were performed to achieve some structural information. It is found that the first peak positions of Si Si, Si O and O O partial radial distribution functions RDFs(3.165 ?, 1.612 ? and 2.6 ?)agree very well with those of x ray diffraction experiments. The discovered relation of coordinate number N Si Si ( r 0) with the molar ratio of CaO is linear and the slope is -0.056 17. The average bond lengths of Si O b and Si O nb are 1.6275～1.630 ? and 1.595～1.60 ?, respectively. Both distribution curves of the angles O Si O and Si O Si show one peak. For the distribution of angle O Si O the positions of the peaks are just a little less than the typical tetrahedral angle 109.5°. And for angle Si O Si the positions of peaks fluctuate in the range from 148° to 151°. At last, the distribution of five Si O tetrahedra was obtained and discussed.
基金supported by the National Natural Science Foundation of China(52272022)the Special Project of Central Government for Local Science and Technology Development of Hubei Province(2019ZYYD076)the Innovation and Entrepreneurship Fund of Wuhan University of Science and Technology(D202202171045002669).
文摘The dissolution of alumina-based refractory ceramics in CaO-Al2O3-SiO_(2)slag melts was performed based on the in-situ observation system of an ultra-high-temperature laser confocal microscope,and the effect of the CaO/SiO_(2)slag mass ratio(C/S ratio)on the dissolution rate of alumina-based refractory ceramics was investigated.The results indicate that the dissolution rate increases with an increase of the C/S ratio and is mainly controlled by diffusion.During the early stage of dissolution,for all C/S ratios,the dissolution process conforms to the classical invariant interface approximation model.During the later stage of dissolution,when the C/S ratio is≥6,the dissolution process is significantly different from the model above because of the formation of a thick interfacial layer,which can be explained by dissolution kinetics.
