To determine the proper methods on prediction of isotope fractionations between minerals and solutions:A case study of magnesium isotopes
Recent developments in mass spectrometers motivate a large number of Mg isotope studies in low-temperature geological problems,e.g.chemical weathering,paleo-enviroments and plant growth.Several experiments have reported equilibrium Mg isotope fractionation factors between carbonate minerals and solutions but with significant disagreements among them.Alternatively,ab initio and first-principles calculations are performed to estimate such fractionations(Rustad et al.,2010;Schauble,2011).However,the calculational results are also not only significantly different from the experimental ones but also different from each other.On account for these differences,Pinilla et al.(2015) preformed pseudopotential-based Car-Parrinello molecular dynamics to simulate aqueous Mg2+with elegant treatments on the solvation effects.They obtained the results generally supporting those of Rustad et al.,(2010) but with large difference from those of Schauble(2011).
Caihong Gao Yun Liu
State Key Laboratory of Ore Deposit Geochemistry,Institute of Geochemistry,Chinese Academy of Sciences,Guiyang 550081,China
国际会议
The 11th International Symposium on Geochemistry of the Earths Surface(GES-11)(第十一届地球表层地球化学国际研讨会)
贵阳
英文
1-1
2017-06-11（万方平台首次上网日期，不代表论文的发表时间）