233 research outputs found
Structures and stability of calcium and magnesium carbonates at mantle pressures
Ab initio random structure searching (AIRSS) and density functional theory
methods are used to predict structures of calcium and magnesium carbonate
(CaCO and MgCO) at high pressures. We find a previously unknown
CaCO structure which is more stable than the aragonite and "post aragonite"
phases in the range 32--48 GPa. At pressures from 67 GPa to well over 100 GPa
the most stable phase is a previously unknown CaCO structure of the
pyroxene type with fourfold coordinated carbon atoms. We also predict a stable
structure of MgCO in the range 85--101 GPa. Our results lead to a revision
of the phase diagram of CaCO over more than half the pressure range
encountered within the Earth's mantle, and smaller changes to the phase diagram
of MgCO. We predict CaCO to be more stable than MgCO in the Earth's
mantle above 100 GPa, and that CO is not a thermodynamically stable
compound under deep mantle conditions. Our results have significant
implications for understanding the Earth's deep carbon cycle.We acknowledge financial support from the Engineering and Physical Sciences Research Council United Kingdom (EPSRC) of the United Kingdom.This is the author accepted manuscript. The final version is available from APS via http://dx.doi.org/10.1103/PhysRevB.91.10410
Dynamic model of basic oxygen steelmaking process based on multi-zone reaction kinetics : modelling of manganese removal
In the earlier work, a dynamic model for the BOF process based on the multi-zone reaction kinetics has been developed. In the preceding part, the mechanism of manganese transfer in three reactive zones of the converter has been analyzed. This study identifies that temperature at the slag-metal reaction interface plays a major role in the Mn reaction kinetics and thus a mathematical treatment to evaluate temperature at each reaction interface has been successfully employed in the rate calculation. The Mn removal rate obtained from different zones of the converter predicts that the first stage of the blow is dominated by the oxidation of Mn at the jet impact zone, albeit some additional Mn refining has been observed as a result of the oxidation of metal droplets in emulsion phase. The mathematical model predicts that the reversion of Mn from slag to metal primarily takes place at the metal droplet in the emulsion due to an excessive increase in slag-metal interface temperature during the middle stage of blowing. In the final stage of the blow, the competition between simultaneous reactions in jet impact and emulsion zone controls the direction of mass flow of manganese. Further, the model prediction shows that the Mn refining in the emulsion is a strong function of droplet diameter and the residence time. Smaller sized droplets approach equilibrium quickly and thus contribute to a significant Mn conversion between slag and metal compared to the larger sized ones. The overall model prediction for Mn in the hot metal has been found to be in good agreement with two sets of different size top blowing converter data reported in the literature
Transition from collision to subduction and its relation to slab seismicity and plate coupling
A viscoelastic model of interseismic strain concentration in Niigata-Kobe Tectonic Zone of central Japan
Dynamic model of basic oxygen steelmaking process based on multi-zone reaction kinetics : model derivation and validation
A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the BOF operation. The three reaction zones, (i) jet impact zone (ii) slag-bulk metal zone (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process
Investigation on viscosity and non-isothermal crystallization behavior of P-bearing steelmaking slags with varying TiO2 content
The viscous flow and crystallization behavior of CaO-SiO2-MgO-Al2O3-FetO-P2O5-TiO2 steelmaking slags have been investigated over a wide range of temperatures under Ar (High purity, >99.999 pct) atmosphere, and the relationship between viscosity and structure was determined. The results indicated that the viscosity of the slags slightly decreased with increasing TiO2 content. The constructed nonisothermal continuous cooling transformation (CCT) diagrams revealed that the addition of TiO2 lowered the crystallization temperature. This can mainly be ascribed to that addition of TiO2 promotes the formation of [TiO6]-octahedra units and, consequently, the formation of MgFe2O4-Mg2TiO4 solid solution. Moreover, the decreasing viscosity has a significant effect on enhancing the diffusion of ion units, such as Ca2+ and [TiO4]-tetrahedra, from bulk melts to the crystal–melt interface. The crystallization of CaTiO3 and CaSiTiO5 was consequently accelerated, which can improve the phosphorus content in P-enriched phase (n2CaO·SiO2-3CaO·P2O5). Finally, the nonisothermal crystallization kinetics was characterized and the activation energy for the primary crystal growth was derived such that the activation energy increases from −265.93 to −185.41 KJ·mol−1 with the addition of TiO2 content, suggesting that TiO2 lowered the tendency for the slags to crystallize
Average slip rate at the transition zone on the plate interface beneath the Kii Peninsula, Japan, estimated from deep low-frequency tremors
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