Towards a Higher Comparability of Geothermometric Data Obtained by Raman Spectroscopy of Carbonaceous Material. Part 2: A Revised Geothermometer
Towards a Higher Comparability of Geothermometric Data Obtained by Raman Spectroscopy of Carbonaceous Material. Part 2: A Revised Geothermometer
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DOI：
10.1111/ggr.12178
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发表时间：
2017-12
影响因子：
3.8
通讯作者：
N. K. Lünsdorf;I. Dunkl;B. Schmidt;G. Rantitsch;H. Eynatten
中科院分区：
文献类型：
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作者：
N. K. Lünsdorf;I. Dunkl;B. Schmidt;G. Rantitsch;H. Eynatten
碳质材料的拉曼光谱（RSCM）对峰变质温度的估计受测量条件、光谱处理和样品不均匀性等因素的影响。测量条件（选定的激发波长）和光谱处理过程中的操作员偏差对温度估计有明显的影响，因此对RSCM获得的测温数据的可比性和便携性有明显的影响。RSCM地质温度计的几个校准线已经公布，但没有标准化的方法存在。阿尔卑斯山脉中部和西部变质条件良好的含碳物质变质沉积物样品汇编了一个参考系列。通过应用自动化、迭代和随机化的曲线拟合方法，提出了一种一致的、不依赖于用户输入的RSCM地质温度计，该温度计涵盖了从约200 ℃到约200 ℃的峰值变质温度。160至600 °C。该方法不依赖于硬件，因为使用参比系列排除了测量条件偏倚，自动曲线拟合方法有效降低了光谱处理偏倚，提高了方法的可比性和可移植性。通过分发参考系列和自动曲线拟合软件，实验室将能够推导出RSCM地质温度计的实验室特定校准线。
The estimation of the peak metamorphic temperature by Raman spectroscopy of carbonaceous material (RSCM) is influenced by several bias sources grouped in measuring conditions, spectral processing and sample heterogeneity. The measuring conditions (selected excitation wavelength) and the operator bias during spectral processing have a pronounced impact on the temperature estimate and thus on the comparability and portability of thermometric data obtained by RSCM. Several calibration lines of RSCM geothermometers are published already, but no standardised approach exists. Samples of carbonaceous material bearing metasediments with well‐established metamorphic conditions of the central and western Alps compile a reference series. By applying an automated, iterative and randomised curve‐fitting approach, a consistent and user input‐independent RSCM geothermometer is presented, which covers peak metamorphic temperatures from ca. 160 to 600 °C. The method is hardware independent because the measuring conditions bias is excluded by the use of the reference series and the automated curve‐fitting approach reduces the spectral processing bias effectively, increasing the method's comparability and portability. By distributing the reference series and the automated curve‐fitting software, a laboratory will be able to derive a laboratory specific calibration line for the RSCM geothermometer.