The effects of MgO/Al2 O3 ratio on the viscous behaviors of MgO-Al2 O3-TiO2-CaO-SiO2 systems were investigated by the rotating cylinder method.Raman spectroscopy was used to analyze the structural characteristics of s...The effects of MgO/Al2 O3 ratio on the viscous behaviors of MgO-Al2 O3-TiO2-CaO-SiO2 systems were investigated by the rotating cylinder method.Raman spectroscopy was used to analyze the structural characteristics of slag and Factsage 7.0 was adopted to demonstrate the liquidus temperature of slag.The results show that the viscosity and activation energy for viscous flow decrease when the MgO/Al2O3 ratio increases from 0.82 to 1.36.The break point temperature and liquidus temperature of slag initially decrease and subsequently increase.The complex viscous structures are gradually depolymerized to simple structural units.In conclusion,with the increase of MgO/Al2O3 ratio,the degree of polymerization of slag decreases,which improves the fluidity of slag.The variations of liquidus temperature of slag lead to the same changes of break point temperature.展开更多
Supercritical fluids play a crucial role in material transport within Earth's deep interior.Investigating the pressure-dependent atomic structures and transport properties of such fluids is essential for understan...Supercritical fluids play a crucial role in material transport within Earth's deep interior.Investigating the pressure-dependent atomic structures and transport properties of such fluids is essential for understanding their petrological,chemical,and geophysical behaviors.In this study,we employed first-principles molecular dynamics simulations to explore the structures,self-diffusion coefficients(D),and viscosities(η)of supercritical NaAlSi_(3)O_(8)-H_(2)O fluids under conditions of 2000 K and 3-10 GPa,with water contents of 30 wt% and 50 wt%.Our calculations indicate that at a water content of 30 wt%,Q^(2) and Q^(3) exhibit a certain degree of positive and negative pressure dependence,respectively,while other Q^(n) species(n represents the number of bridging oxygens connected to Si/Al)show minimal changes.At a water content of 50 wt%,Q^(2) and Q^(0) exhibit a certain degree of positive and negative pressure dependence,respectively,while other Q^(n) species show minimal changes.At both water contents,Si-O-H and molecular water in the system exhibit negative pressure dependence,suggesting that the migration of supercritical fluids from deep to shallow regions is accompanied by the release of water.The self-diffusion coefficients in the supercritical NaAlSi_(3)O_(8)-H_(2)O fluid follow the order D_(Na)≈D_(H)>D_(O)>D_(Al)≈D_(Si),with an overall weak negative pressure dependence.By comparing the viscosities of anhydrous and hydrous silicate melts from previous studies,we found that the addition of water caused a transition from negative to positive pressure dependence of viscosity,corresponding to a structural change from polymerization to depolymerization.Additionally,we calculated the fluid mobility Δp/η of supercritical NaAlSi_(3)O_(8)-H_(2)O fluids and found that their mobility is several orders of magnitude higher than that of basalt melt and is also significantly greater than that of carbonate melt.As supercritical fluids ascend from deeper to shallower regions,their mobility is further enhanced,significantly contributing to the transport of elements from subducting slabs to the overlying mantle wedge.展开更多
基金Projects(51574067,51904063)supported by the National Natural Science Foundation of ChinaProjects(N172503016,N172502005,N172506011)supported by Fundamental Research Funds for the Central Universities,ChinaProject(2018M640259)supported by China Postdoctoral Science Foundation
文摘The effects of MgO/Al2 O3 ratio on the viscous behaviors of MgO-Al2 O3-TiO2-CaO-SiO2 systems were investigated by the rotating cylinder method.Raman spectroscopy was used to analyze the structural characteristics of slag and Factsage 7.0 was adopted to demonstrate the liquidus temperature of slag.The results show that the viscosity and activation energy for viscous flow decrease when the MgO/Al2O3 ratio increases from 0.82 to 1.36.The break point temperature and liquidus temperature of slag initially decrease and subsequently increase.The complex viscous structures are gradually depolymerized to simple structural units.In conclusion,with the increase of MgO/Al2O3 ratio,the degree of polymerization of slag decreases,which improves the fluidity of slag.The variations of liquidus temperature of slag lead to the same changes of break point temperature.
基金funded by National Natural Science Foundation of China(42373033,Yicheng Sun)Fundamental Research Funds for the Central Universities(B240201111,Yicheng Sun)。
文摘Supercritical fluids play a crucial role in material transport within Earth's deep interior.Investigating the pressure-dependent atomic structures and transport properties of such fluids is essential for understanding their petrological,chemical,and geophysical behaviors.In this study,we employed first-principles molecular dynamics simulations to explore the structures,self-diffusion coefficients(D),and viscosities(η)of supercritical NaAlSi_(3)O_(8)-H_(2)O fluids under conditions of 2000 K and 3-10 GPa,with water contents of 30 wt% and 50 wt%.Our calculations indicate that at a water content of 30 wt%,Q^(2) and Q^(3) exhibit a certain degree of positive and negative pressure dependence,respectively,while other Q^(n) species(n represents the number of bridging oxygens connected to Si/Al)show minimal changes.At a water content of 50 wt%,Q^(2) and Q^(0) exhibit a certain degree of positive and negative pressure dependence,respectively,while other Q^(n) species show minimal changes.At both water contents,Si-O-H and molecular water in the system exhibit negative pressure dependence,suggesting that the migration of supercritical fluids from deep to shallow regions is accompanied by the release of water.The self-diffusion coefficients in the supercritical NaAlSi_(3)O_(8)-H_(2)O fluid follow the order D_(Na)≈D_(H)>D_(O)>D_(Al)≈D_(Si),with an overall weak negative pressure dependence.By comparing the viscosities of anhydrous and hydrous silicate melts from previous studies,we found that the addition of water caused a transition from negative to positive pressure dependence of viscosity,corresponding to a structural change from polymerization to depolymerization.Additionally,we calculated the fluid mobility Δp/η of supercritical NaAlSi_(3)O_(8)-H_(2)O fluids and found that their mobility is several orders of magnitude higher than that of basalt melt and is also significantly greater than that of carbonate melt.As supercritical fluids ascend from deeper to shallower regions,their mobility is further enhanced,significantly contributing to the transport of elements from subducting slabs to the overlying mantle wedge.
