A rigorous approach is proposed to model the mean ion activity coefficient for strong electrolyte systems using the Poisson-Boltzmann equation. An effective screening radius similar to the Debye decay length is introd...A rigorous approach is proposed to model the mean ion activity coefficient for strong electrolyte systems using the Poisson-Boltzmann equation. An effective screening radius similar to the Debye decay length is introduced to define the local composition and new boundary conditions for the central ion. The crystallographic ion size is also considered in the activity coefficient expressions derived and non-electrostatic contributions are neglected. The model is presented for aqueous strong electrolytes and compared with the classical Debye-Hfickel (DH) limiting law for dilute solutions. The radial distribution function is compared with the DH and Monte Carlo studies. The mean ion activity coefficients are calculated for 1:1 aqueous solutions containing strong electrolytes composed of alkali halides. The individual ion activity coefficients and mean ion activity coefficients in mixed sol- vents are predicted with the new equations.展开更多
The objective of this study is to predict grain size and heat transfer coefficient at the metal-die interface during high pressure die casting process and solidification of the magnesium alloy AM60. Multiple runs of t...The objective of this study is to predict grain size and heat transfer coefficient at the metal-die interface during high pressure die casting process and solidification of the magnesium alloy AM60. Multiple runs of the commercial casting simulation package, ProCASTTM, were used to model the mold filling and solidification events employing a range of interfacial heat transfer coefficient values. The simulation results were used to estimate the centerline cooling curve at various locations through the casting. The centerline cooling curves, together with the die temperature and the thermodynamic properties of the alloy, were then used as inputs to compute the solution to the Stefan problem of a moving phase boundary, thereby providing the through-thickness cooling curves at each chosen location of the casting, Finally, the local cooling rate was used to calculate the resulting grain size via previously established relationships. The effects of die temperature, filling time and heat transfer coefficient on the grain structure in skin region and core region were quantitatively characterized. It was observed that the grain size of skin region strongly depends on above three factors whereas the grain size of core region shows dependence on the interracial heat transfer coefficient and thickness of the samples. The grain size distribution from surface to center was estimated from the relationship between grain size and the predicted cooling rate. The prediction of grain size matches well with experimental results. A comparison of the predicted and experimentally determined grain size profiles enables the determination of the apparent interracial heat transfer coefficient for different locations.展开更多
基金Supported by the National Natural Science Foundation of China(21206010)
文摘A rigorous approach is proposed to model the mean ion activity coefficient for strong electrolyte systems using the Poisson-Boltzmann equation. An effective screening radius similar to the Debye decay length is introduced to define the local composition and new boundary conditions for the central ion. The crystallographic ion size is also considered in the activity coefficient expressions derived and non-electrostatic contributions are neglected. The model is presented for aqueous strong electrolytes and compared with the classical Debye-Hfickel (DH) limiting law for dilute solutions. The radial distribution function is compared with the DH and Monte Carlo studies. The mean ion activity coefficients are calculated for 1:1 aqueous solutions containing strong electrolytes composed of alkali halides. The individual ion activity coefficients and mean ion activity coefficients in mixed sol- vents are predicted with the new equations.
基金jointly supported by Canadian Network for Research and Innovation in Machining TechnologyNatural Sciences and Engineering Research Council of Canada-Automotive Partnership Canada programNRCan’s Office of Energy R&D through the Program on Energy R&D
文摘The objective of this study is to predict grain size and heat transfer coefficient at the metal-die interface during high pressure die casting process and solidification of the magnesium alloy AM60. Multiple runs of the commercial casting simulation package, ProCASTTM, were used to model the mold filling and solidification events employing a range of interfacial heat transfer coefficient values. The simulation results were used to estimate the centerline cooling curve at various locations through the casting. The centerline cooling curves, together with the die temperature and the thermodynamic properties of the alloy, were then used as inputs to compute the solution to the Stefan problem of a moving phase boundary, thereby providing the through-thickness cooling curves at each chosen location of the casting, Finally, the local cooling rate was used to calculate the resulting grain size via previously established relationships. The effects of die temperature, filling time and heat transfer coefficient on the grain structure in skin region and core region were quantitatively characterized. It was observed that the grain size of skin region strongly depends on above three factors whereas the grain size of core region shows dependence on the interracial heat transfer coefficient and thickness of the samples. The grain size distribution from surface to center was estimated from the relationship between grain size and the predicted cooling rate. The prediction of grain size matches well with experimental results. A comparison of the predicted and experimentally determined grain size profiles enables the determination of the apparent interracial heat transfer coefficient for different locations.