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UncorK – A Monte Carlo simulation tool for calculating combined uncertainties associated with mass bias calibration factors for isotope ratio measurements
Spectrochimica Acta Part B: Atomic Spectroscopy ( IF 3.3 ) Pub Date : 2020-06-01 , DOI: 10.1016/j.sab.2020.105866
Lukas Flierl , Axel Pramann , Janine Noordmann , Anita Röthke , Olaf Rienitz

Abstract A complete uncertainty budget including all relevant uncertainty contributions is one of the requirements for an unbroken traceability chain to the International System of Units (SI). Measured ion intensity ratios need to be corrected for any mass bias effects. Correcting the measured ratios is usually done with mass bias correction factors (K-factors). These can be derived from gravimetric isotope mixtures. The resulting absolute isotope ratios are traceable to the SI, provided the uncertainty contribution stemming from the calibration is also considered. Since the computation of K-factors for even small systems containing only a small number of isotopes is challenging, the uncertainty evaluation is also not a straightforward task. This paper presents a way of calculating the uncertainty associated with calibration factors by applying the Monte Carlo method. An EXCEL-based tool is presented that is capable of performing such uncertainty calculations for systems with up to 12 isotopes. Additionally, two examples are given to demonstrate the application of this tool and to validate it.

中文翻译:

UncorK – 一种蒙特卡罗模拟工具,用于计算与同位素比测量的质量偏差校准因子相关的组合不确定性

摘要 包括所有相关不确定性贡献的完整不确定性预算是对国际单位制 (SI) 的不间断追溯链的要求之一。测量的离子强度比需要针对任何质量偏差效应进行校正。校正测量的比率通常使用质量偏差校正因子(K 因子)来完成。这些可以来自重量同位素混合物。得到的绝对同位素比率可追溯到 SI,前提是还考虑了源自校准的不确定性贡献。由于即使是仅包含少量同位素的小型系统的 K 因子计算也具有挑战性,因此不确定性评估也不是一项简单的任务。本文介绍了一种应用蒙特卡罗方法计算与校准因子相关的不确定度的方法。提出了一种基于 EXCEL 的工具,该工具能够对多达 12 种同位素的系统执行此类不确定性计算。此外,还给出了两个示例来演示该工具的应用并对其进行验证。
更新日期:2020-06-01
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