Re-Visiting the Quantification of Hematite by Diffuse Reflectance Spectroscopy

Hematite concentration is an important climatic proxy for environmental (climatic) studies of soils and sediments. However, the accurate quantification of naturally occurring hematite has always been a difficult question, especially for those areas with lower hematite concentrations. Diffuse reflectance spectroscopy (DRS) is an effective method for hematite identification and quantification with lower detection limits. In this study, we synthesized a set of samples with well-determined concentrations to explore the exact detectable range of hematite and propose the most effective transfer function between the DRS proxy and hematite concentration. In addition, natural sediments from Inland Asia and the Western Pacific Ocean were used to further test the feasibility of the new transfer function. Results show that the lowest DRS detection limit for hematite could reach similar to 0.00078%, but is affected by the natural matrix. We also find that the second derivative of the Kubelka-Munk (K-M) function is monotonically correlated with the hematite concentration (0.00078%-100%), but ambiguities exist for the first derivative. Therefore, the second derivative of the K-M function is highly suggested for the hematite quantification, especially when concentration exhibits a wide range of variations. This study provides important references for the application of hematite proxy and promotes the popularization and development of the DRS method.

Automated summary

Hematite concentration is an important indicator for environmental studies. Diffuse reflectance spectroscopy is an effective method for identifying and quantifying hematite. This study determined the detectable range of hematite and proposed an effective transfer function through synthesizing samples and testing natural sediments.