Inter-mineral Ti-isotopic Fractionation

Das, Debdutta (2023) Inter-mineral Ti-isotopic Fractionation. Masters thesis, Indian Institute of Science Education and Research Kolkata.

Text (MS dissertation of Debdutta Das (16MS167)) Thesis_16MS167.pdf - Submitted Version Restricted to Repository staff only Download (981kB)

Abstract

Inter-mineral equilibrium Ti isotopic fractionation data is important as it may hold vital clues regarding the nature of evolution as well as recycling of continents. Using first principles density functional theory (DFT) we have calculated the reduced partition function ratios of four important Ti bearing minerals, namely, rutile, pseudobrookite, ilmenite, and magnetite. There is in general a significant variation in the reduced partition function ratio among the four minerals studied in this project. It is found to be largest in the case of magnetite and lowest in the case of rutile. To understand the reason behind such huge variation, we did a structural analysis of all the above- mentioned four minerals. It was found that the reduced partition function ratios are related to the Ti- O bond-lengths. Our results are in agreement with previous experimental and theoretical studies on Ti isotopic fractionation between important rock forming minerals.

Actions (login required)

View Item