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Ab initio quantum chemical studies of isotopic fractionation during acid digestion reaction of dolomite for clumped isotope application.
Rapid Communications in Mass Spectrometry ( IF 2 ) Pub Date : 2020-08-18 , DOI: 10.1002/rcm.8926
Chirantan Pramanik,Prosenjit Ghosh,Sanchita Banerjee,Mao-Chang Liang

In ‘clumped isotope paleothermometry’ carbonates are reacted with anhydrous phosphoric acid to extract CO2 that carries the isotopic signature of the reacting carbonates, and the amount of clumping in the product CO2 is measured. Previous theoretical models for determining clumped isotopic fractionation in product CO2 during acid digestion of carbonates are independent of the cations present in the carbonate lattice. Hence further study is required to understand the cationic effect.

中文翻译:

从头算量子化学研究白云石在团聚同位素应用中的酸消化反应过程中的同位素分馏。

在“结块同位素paleothermometry”碳酸盐用无水磷酸反应,以提取CO 2携带反应碳酸酯的同位素特征,和结块的产品中的CO量2被测量。用于确定碳酸盐酸解过程中产物CO 2的聚集同位素分馏的先前理论模型与碳酸盐晶格中存在的阳离子无关。因此,需要进一步研究以了解阳离子效应。
更新日期:2020-09-16
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