Exploration of driving mechanisms of equilibrium boron isotope fractionation in tourmaline group minerals and fluid: A density functional theory study

Exploration of driving mechanisms of equilibrium boron isotope fractionation in tourmaline group minerals and fluid: A density functional theory study Yin-Chuan Li a , Hong-Wei Chen b , Hai-Zhen Wei a *, Shao-Yong Jiang c *, Martin R. Palmer d , T. G. M. van de Ven e , Simon Hohl a , Jian-Jun Lu a , Jing Ma b * a State Key Laboratory for Mineral Deposits Research, Department of Earth Sciences and Engineering, Nanjing University, Nanjing 210023, PR China b Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry & Chemical Engineering, Nanjing University, Nanjing, 210023, PR China c State Key Laboratory of Geological Processes and Mineral Resources, Faculty of Earth Resources, China University of Geosciences, Wuhan 430074, PR China d School of Ocean and Earth Science, NOC, University of Southampton, European Way, Southampton SO14 3ZH, UK e Department of Chemistry, McGill University, Montreal, Quebec H3A 2A7, Canada * Author to whom correspondence should be addressed: Profs. Hai-Zhen Wei, Jing Ma School of Earth Sciences and Engineering, School of Chemistry & Chemical Engineering, Nanjing University 163 Xianlin Avenue, Nanjing, Jiangsu, 210023 PR China Phone: +86 (25) 89681617; Fax: +86 (25) 89682393 Email address: [email protected]; [email protected] Prof. Shao-Yong Jiang State Key Laboratory of Geological Processes and Mineral Resources,

Exploration of driving mechanisms of equilibrium boron isotope fractionation in tourmaline group minerals and fluid: A density functional theory study

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boron isotope fractionation

reduced partition function

tourmaline group minerals

fluid