Journal
GEOCHEMICAL JOURNAL
Volume 56, Issue 6, Pages 180-196Publisher
GEOCHEMICAL SOC JAPAN
DOI: 10.2343/geochemj.GJ22018
Keywords
cadmium isotope; greenockite; equilibrium isotope fractionation; VVCM; cadmium cycle
Categories
Funding
- Chinese National Science Fund Projects [42063007, 41663007]
- Science and Technology Program of Guizhou [5726-58, [2021]23]
Ask authors/readers for more resources
This study predicts the equilibrium isotope fractionation factors between Cd-bearing aqueous solutions and minerals. The results show significant differences in Cd isotope fractionation between the solutions and minerals, which has important theoretical implications for geochemical processes.
In this study, the equilibrium isotope fractionation factors between Cd-bearing aqueous solutions and minerals were predicted. The theoretical method used to calculate the Cd isotope fractionation factors is the first-principle quantum chemistry method (Cd: LANL2DZ, other atoms: 6-311 + G(d, P)). Reduced partition function ratios (RPFRs) of Cd-bearing minerals (Greenockite and Sphalerite) were modeled by the method of the volume variable cluster model (VVCM). The theoretical method of water-droplet method is used to simulate the solvation effect of different Cd-bearing aqueous solutions. The results show that, in most cases, the Cd-bearing aqueous solutions are enriched in Cd-114 relative to Greenockite. The Cd isotope fractionation factors between Cd-bearing aqueous solutions and Greenockite are in the range of 0.433-0.083 (100 degrees C). And the Cd isotope fractionations between different Cd-bearing species are believed to be widespread. Cd isotope fractionation factors between different reservoirs are of great theoretical significance to many geochemical processes such as surficial geochemical process and ore-forming process. These theoretical parameters are studied systematically and carefully in this study.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available