Quantification of TOC and TN in reservoir sediments using Fourier transform infrared spectroscopy

Highlights

• A calibration models for the rapid determination of TOC and TN contents using FTIRS.

• Ÿ A rapid analytical method for quantitatively calculating TOC and TN.

Ÿ• A general model for TOC and TN quantitative analysis in reservoir sediments in the southwest China.

Abstract

This study aims to quantitatively assess the total organic carbon (TOC) and total nitrogen (TN) content of reservoir sediments in southwest China using Fourier transform infrared spectroscopy (FTIRS). FTIRS measurements were performed on 187 sediment samples from four reservoirs to develop calibration models that relate FTIR spectral information with conventional property concentrations using partial least squares regression (PLSR). Robust calibration models were established for TOC and TN content. The external validation of these models yielded a significant correlation between FTIR-inferred and conventionally measured concentrations of R² = 0.88 for TOC, R² = 0.90 for TN. This method can be performed with a small sample size and is non-destructive throughout the simple measurement process. The TOC and TN content in the sediment can be determined with high effectiveness without being overly expensive, making it an advantageous method when measuring a large number of samples.

Graphical abstract

Keywords

Fourier transform infrared spectroscopy / Chemometrics / Total organic carbon / Total nitrogen / Reservoir sediment

References

[1] Allen, D.T., Palen, E.J., Haimov, M.I., Hering, S.V., Young, J.R., 1994. Fourier transform infrared spectroscopy of aerosol collected in a low pressure impactor (LPI/FTIR): Method development and field calibration. Aerosol Science and Technology 21, 325–342

[2] Belzile, N., Joly, H.A., Li, H., 1997. Characterization of humic substances extracted from Canadian lake sediments. Canadian Journal of Chemistry 75, 14–27

[3] Bertaux, J., Ledru, M.P., Soubiès, F., Sondag, F., 1996. The use of quantitative mineralogy linked to palynological studies in palaeoenvironmental reconstruction: the case study of the Lagoa Campestr lake, Salitre, Minas Gerais, Brazil. Comptes rendus académie sciences de Paris Séries II 323:65–71.

[4] Braguglia, C.M., Campanella, L., Petronio, B.M., Scerbo, R., 1995. Sedimentary humic acids in the continental margin of the Ross Sea (ANTARCTICA). International Journal of Environmental Analytical Chemistry 60, 61–70

[5] Calace, N., Cardellicchio, N., Petronio, B.M., Pietrantonio, M., Pietroletti, M., 2006. Sedimentary humic substances in the northern Adriatic sea (Mediterranean sea). Marine Environmental Research 61, 40–58

[6] Che Man, Y.B., Syahariza, Z.A., Mirghani, M.E.S., Jinap, S., Bakar, J., 2005. Analysis of potential lard adulteration in chocolate and chocolate products using Fourier transform infrared spectroscopy. Food Chemistry 90, 815–819

[7] Cohen, A., Soreghan, M., Scholtz, C., 1993. Estimating the age of formation of lakes: An example from Lake Tanganyika East African Rift system. Geology 21, 511–514

[8] Colman, S.M., Peck, J.A., Karabanov, E.B., Carter, S.J., Bradbury, J.P., King, J.W., Williams, D.F., 1995. Continental climate response to orbital forcing from biogenic silica records in Lake Baikal. Nature 378, 769–771

[9] Coury, C., Dillner, A.M., 2008. A method to quantify organic functional groups and inorganic compounds in ambient aerosols using attenuated total reflectance FTIR spectroscopy and multivariate chemometric techniques. Atmospheric Environment 42, 5923–5932

[10] Fuji, N., 1998. Palaeovegetation and palaeoclimate changes around Lake Biwa, Japan during the last CA. 3 million years. Quaternary ence Reviews 7, 21–28.

[11] Geladi, P., Dbakk, E., 1999. Computational Methods and Chemometrics in Near Infrared Spectroscopy. Encyclopedia of Spectroscopy and Spectrometry (2nd ed). pp. 386–391.

[12] Geladi, P., Macdougall, D., Martens, H., 2016. Linearization and scatter-correction for near-infrared reflectance spectra of meat. Applied Spectroscopy 39, 491–500

[13] Gurdeniz, G., Tokatli, F., Ozen, B., 2007. Differentiation of mixtures of monovarietal olive oils by mid-infrared spectroscopy and chemometrics. European Journal of Lipid Science and Technology 109, 1194–1202

[14] Howe, K.J., Ishida, K.P., Clark, M.M., 2002. Use of ATR/FTIR spectrometry to study fouling of microfiltration membranes by natural waters. Desalination 147, 251–255

[15] Javier, M., Cassellab, R.J., C.Barciela-Alonsoc, M., Moreda-Piñeiroc, A., Herbello-Hermeloc, P., Bermejo-Barrerac, P., Garriguesa, S., de la Guardiaa, M., 2010. Estuarine sediment quality assessment by Fourier-transform infrared spectroscopy. Vibrational Spectroscopy 53, 204–213

[16] Kotoky, P., Bezbaruah, D., Baruah, J., Borah, G.C., Sarma, J.N., 2006. Characterization of clay minerals in the Brahmaputra river sediments, Assam, India. Current Science 91, 1247–1250

[17] Kovac, N., Faganeli, J., Bajt, O., Orel, B., Vuk, A., 2005. Investigation of sediment samples from the Gulf of Trieste (northern Adriatic) by FTIR spectroscopy. Mater Geoenvi 52, 81–85.

[18] Langford, H., Hodson, A., Banwart, S., 2011. Using FTIR spectroscopy to characterise the soil mineralogy and geochemistry of cryoconite from Aldegondabreen glacier, Svalbard. Applied Geochemistry 26, S206–S209

[19] Liu, X., Colman, S.M., Brown, E.T., Minor, E.C., Li, H., 2013. Estimation of carbonate, total organic carbon, and biogenic silica content by FTIR and XRF techniques in lacustrine sediments. Journal of Paleolimnology 50, 387–398

[20] Matrajt, G., Borg, J., Raynal, P.I., Djouadi, Z.D., Hendecourt, L., Flynn, G., Deboffle, D., 2004. FTIR and Raman analyses of the Tagish Lake meteorite: Relationship with the aliphatic hydrocarbons observed in the Diffuse Interstellar Medium. Astronomy & Astrophysics 416, 549–554

[21] Mecozzi, M., Pietrantonio, E., Amici, M., Romanelli, G., 2001. Determination of carbonate in marine solid samples by FTIR-ATR spectroscopy. Analyst (London) 126, 144–146

[22] Mecozzi, M., Pietrantonio, E., Pietroletti, M., 2009. The roles of carbohydrates, proteins and lipids in the process of aggregation of natural marine organic matter investigated by means of 2D correlation spectroscopy applied to infrared spectra. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy 71, 1877–1884

[23] Meyer-Jacob, C., Vogel, H., Gebhardt, A.C., Wennrich, V., Melles, M., Rosen, P., 2014. Biogeochemical variability during the past 3.6 million years recorded by FTIR spectroscopy in the sediment record of Lake El’gygytgyn, Far East Russian Arctic. Climate of the Past 10, 209–220

[24] Oudghiri, F., Garcia-Morales, J.L., Rodriguez-Barroso, M.R., 2014. Rapid Screening of Estuarine Sediments Properties Using Thermogravimetric Analysis and Attenuated Total Reflectance (ATR) by Fourier Transform Infrared (FTIR) Spectrometry. Water Air and Soil Pollution 225, 1853.1–1853.10.

[25] Peck, J.A., King, J.W., Colman, S.M., Kravchinsky, V.A., 1994. A rock-magnetic record from Lake Baikal, Siberia: Evidence for Late Quaternary climate change. Earth and Planetary Science Letters 122, 0–238.

[26] Reig, F.B., Adelantado, J.V.G., Moreno, M.C.M.M., 2002. FTIR quantitative analysis of calcium carbonate (calcite) and silica (quartz) mixtures using the constant ratio method. Application to geological samples. Talanta 58, 811–821

[27] Rosén, P., Persson, P., 2006. Fourier-transform Infrared Spectroscopy (FTIRS), a new method to infer past changes in tree-line position and TOC using lake sediment. Journal of Paleolimnology 35, 913–923

[28] Rosén, P., Vogel, H., Cunningham, L., Reuss, N., Conley, D.J., Persson, P., 2010. Fourier transform infrared spectroscopy, a new method for rapid determination of total organic and inorganic carbon and biogenic silica concentration in lake sediments. Journal of Paleolimnology 43, 247–259

[29] Sifeddine, A., 1994. The lacustrine organic sedimentation in tropical humid environment (Carajas, eastern Amazonia, Brazil): relationship with climatic changes during the last 60 000 years B.P. Bulletin de la Société Géologique de France 165, 613–621

[30] Tiercelin, J.J.,Lezzar, K.E., 2004. A 300 Million Years History of Rift Lakes in Central and East Africa: An Updated Broad Review. In: Odada, E.O., Olago, D.O. (eds.) The East African Great Lakes: Limnology, Palaeolimnology and Biodiversity. Advances in Global Change Research, vol 12. Springer, Dordrecht. https://doi.org/10.1007/0-306-48201-0_1

[31] Veerasingam, S., Venkatachalapathy, R., 2014. Estimation of carbonate concentration and characterization of marine sediments by Fourier Transform Infrared Spectroscopy. Infrared Physics & Technology 66, 136–140

[32] Vogel, H., Meyer‐Jacob C., Thöle, L., LippoldJ.A., JaccardS.L., 2016. Quantification of biogenic silica by means of Fourier transform infrared spectroscopy (FTIRS) in marine sediments. Limnology and Oceanography, Methods 14, 828–838

[33] Vogel, H., Rosén, P., Wagner, B., Melles, M., Persson, P., 2008. Fourier transform infrared spectroscopy, a new cost-effective tool for quantitative analysis of biogeochemical properties in long sediment records. Journal of Paleolimnology 40, 689–702

[34] Williams, D., Peck, J.A., Karabanov, E., Prokopenko, A., 1997. Lake Baikal record of continental climate response to orbital insolation during the past 5 million years. Science 278, 1114–1117

[35] Wirrmann, D., Bertaux, J., Kossoni, A., 2001. Late holocene paleoclimatic changes in Western Central Africa inferred from mineral abundance in dated sediments from Lake Ossa (Southwest Cameroon). Quaternary Research 56, 275–287

Acknowledgments

This work was supported by the National Key Research and Development Program of China (2016YFA0601003) and Shanghai Science and Technology Development Foundation (19010500100).

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