دورية أكاديمية

First-principles calculations of equilibrium silicon isotope fractionation in metamorphic silicate minerals

التفاصيل البيبلوغرافية
العنوان: First-principles calculations of equilibrium silicon isotope fractionation in metamorphic silicate minerals
المؤلفون: Yuanhong Li, Wenzhong Wang, Chen Zhou, Fang Huang
المصدر: Solid Earth Sciences, Vol 4, Iss 4, Pp 142-149 (2019)
بيانات النشر: Elsevier, 2019.
سنة النشر: 2019
المجموعة: LCC:Geology
مصطلحات موضوعية: Geology, QE1-996.5
الوصف: In this study, silicon isotope fractionation factors for metamorphic silicate including muscovite, epidote, and kyanite are calculated using first-principles methods based on density-functional theory. The reduced partition function ratio (103lnβ) of 30Si/28Si decreases in the order of muscovite > epidote ≈ kyanite. Combining with previous calculations, our results show that the equilibrium silicon isotope fractionation factors are correlated with average Si–O bond length. These results predict that measurable Si isotope fractionation can occur during metamorphic fluid activities. At 1000 K, the calculated 103lnα values for quartz–epidote, quartz–kyanite, and quartz–muscovite are 0.51‰, 0.49‰, and 0.08‰, respectively. The calculation results are generally consistent with the observed Si isotopic data in two metamorphic eclogite-vein systems, showing that our work can provide useful information in investigating the Si isotope fractionation in metamorphic fluid evolution. Keywords: Si isotopes, First-principles calculation, Metamorphic fluid
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2451-912X
العلاقة: http://www.sciencedirect.com/science/article/pii/S2451912X19300364Test; https://doaj.org/toc/2451-912XTest
DOI: 10.1016/j.sesci.2019.09.004
الوصول الحر: https://doaj.org/article/d5a45f00d8674d7b9a017c7076eaebd9Test
رقم الانضمام: edsdoj.5a45f00d8674d7b9a017c7076eaebd9
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:2451912X
DOI:10.1016/j.sesci.2019.09.004