With unique physical and chemical properties, aqueous solutions in the mantle may play important roles for a number of geochemical and geodynamical processes. However, since experimental data available are very limite...With unique physical and chemical properties, aqueous solutions in the mantle may play important roles for a number of geochemical and geodynamical processes. However, since experimental data available are very limited, people still know little about the aqueous solutions and their interactions with surrounding rocks and melts. From the perspective of thermodynamics, equation of state(EOS) is the key to push forward the modeling of aqueous solutions. Nevertheless, up to now accurate EOSs suitable for the mantle conditions are still in shortage. With discussions over several recognized EOSs, we summarize several ways to enhance the predictability of EOS: utilizing high quality data from molecular simulations, choosing functions with sound physical background, and improving the regression procedures for the empirical parameters. In the meantime, we find that the ion-bearing systems are still the focus of challenges in this area. New developments of experiments and computer simulations effectively deal with these challenges and in-depth understandings of aqueous solutions in the mantle are expected in the near future.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 41590620 & 41473060)
文摘With unique physical and chemical properties, aqueous solutions in the mantle may play important roles for a number of geochemical and geodynamical processes. However, since experimental data available are very limited, people still know little about the aqueous solutions and their interactions with surrounding rocks and melts. From the perspective of thermodynamics, equation of state(EOS) is the key to push forward the modeling of aqueous solutions. Nevertheless, up to now accurate EOSs suitable for the mantle conditions are still in shortage. With discussions over several recognized EOSs, we summarize several ways to enhance the predictability of EOS: utilizing high quality data from molecular simulations, choosing functions with sound physical background, and improving the regression procedures for the empirical parameters. In the meantime, we find that the ion-bearing systems are still the focus of challenges in this area. New developments of experiments and computer simulations effectively deal with these challenges and in-depth understandings of aqueous solutions in the mantle are expected in the near future.
