First-principles calculations of equilibrium Ca isotope fractionation: Implications for oldhamite formation and evolution of lunar magma ocean
Sign Up to like & getrecommendations! Published in 2019 at "Earth and Planetary Science Letters"
DOI: 10.1016/j.epsl.2018.12.034
Abstract: Abstract Calcium is a major element of the Earth, the Moon, terrestrial planets, and rocky meteorites. Here we present equilibrium Ca isotope fractionation factors of Ca-bearing minerals using the first-principles calculations based on density functional… read more here.
Keywords: equilibrium isotope; isotope fractionation; principles calculations; first principles ... See more keywords
First-principles investigation of equilibrium K isotope fractionation among K-bearing minerals
Sign Up to like & getrecommendations! Published in 2019 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2019.07.038
Abstract: Abstract The 41K/39K reduced partition function ratios, 103lnβ, of 17 major K-bearing minerals have been calculated using the density functional theory (DFT) method. Their 103lnβ decrease in the order of alunite (KAl3(SO4)2(OH)6) ∼ K-hollandite I (KAlSi3O8) > niter (KNO3) > potassium… read more here.
Keywords: potassium; equilibrium isotope; bearing minerals; investigation equilibrium ... See more keywords
Sn(II) chloride speciation and equilibrium Sn isotope fractionation under hydrothermal conditions: A first principles study
Sign Up to like & getrecommendations! Published in 2021 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2021.02.023
Abstract: Abstract Knowledge of Sn(II) speciation in aqueous and gaseous phases and the corresponding isotope effects are critical for understanding the transport and deposition of Sn in various geological and cosmochemical processes. In this study, we… read more here.
Keywords: isotope; equilibrium isotope; speciation; isotope fractionation ... See more keywords