Abstract
Carbonate minerals have been playing an important role in determining the history of the earth's atmosphere, geology, and hydrology and have received extensive attention. In this study, infrared spectral characteristics and infrared radiation properties of four carbonate minerals (calcite, rhodochrosite, siderite, magnesite) were highlighted and investigated by using X-ray diffraction (XRD), X-ray fluorescence spectroscopy (XRF), energy dispersive X-ray spectrometer (EDS), differential scanning calorimeter (DSC) and infrared spectroscopy (IR) (absorption and emission spectroscopy). Infrared absorption and thermal emission spectra systematically illustrated the effect of cations (Ca2+, Mg2+, Fe2+, Mn2+) on shifting the positions and infrared performance of the carbonate absorption bands. Three specific modes of the carbonate anion (CO32−) in mid-infrared range, derived from the out-of-plane bending, asymmetric stretching, and in-plane bending vibration (ν2, ν3, and ν4 modes, respectively) were found to be blue-shifted with the decrease of cationic radius, bond length and lattice volume. The average emissivity of calcite, rhodochrosite, siderite, and magnesite were calculated as 0.954, 0.934, 0.907, and 0.883, respectively, in the temperature range of 50–155 °C and the mid-infrared range of 400–2000 cm−1. Emissivity and thermal radiation performance of carbonate minerals can be influenced by several interplaying factors. In particular, higher emissivity was proportional to longer bond length (cation-oxygen and carbon–oxygen with linear correlation coefficients (R2) of 0.751 and 0.721, respectively) and larger cationic radius (R2 = 0.872), which gave rise to lower vibrational frequency, narrower vibration range, and reduced absorbed energy. Furthermore, the heat capacity of four minerals presented a positive correlation with their infrared radiant energy within the temperature. It thus can be concluded that complex and multifactor interactions occur within the crystal structure affecting the fundamental vibrational frequencies of CO32− group, and infrared performance was consequently influenced. This paper can provide theoretical reference for demonstrating the effect of crystal structure on infrared radiation performance and spectral characteristics of various minerals, which is conducive to distinguish minerals based on their features in infrared spectroscopy.
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References
Adler HH, Kerr PF (1963) Infrared spectra, symmentry and structure relations of some carbonate minerals American Mineralogist. J Earth Planet Mater 48:839–853
Argast S, Donnelly TW (1987) The chemical discrimination of clastic sedimentary components. J Sediment Res 57:813–823
Brusentsova TN, Peale RE, Maukonen D, Harlow GE, Boesenberg JS, Ebel D (2010) Far infrared spectroscopy of carbonate minerals. Am Miner 95:1515–1522
Chatzitheodoridis E, Turner G (1990) Secondary minerals in the Nakhla Meteorite. Meteorit Planet Sci 25:354–354
Chester R, Elderfield H (1967) The application of infrared absorption spectroscopy to carbonate mineralogy. Sedimentology 9:5–21
Christensen PR, Harrison ST (1993) Thermal infrared emission spectroscopy of natural surfaces: application to desert varnish coatings on rocks. J Geophys Res Solid Earth 98:19819–19834
Christensen PR, Bandfield JL, Hamilton VE, Howard DA, Lane MD, Piatek JL, Ruff SW, Stefanov WL (2000) A thermal emission spectral library of rock-forming minerals. J Geophys Res Planets 105:9735–9739
Clayton RN, Mayeda TK (1988) Isotopic composition of carbonate in EETA 79001 and its relation to parent body volatiles. Geochim Cosmochim Acta 52:925–927
Cuthbert F, Rowland RA (1947) Differential thermal analysis of some carbonate minerals American Mineralogist. J Earth Planet Mater 32:111–116
Debye P (1912) Zur theorie der spezifischen wärmen. Ann Phys 344:789–839
Dickinson WR, Suczek CA (1979) Plate tectonics and sandstone compositions. Aapg Bull 63:2164–2182
Ditmars DA, Douglas TB (1971) Measurement of the relative enthalpy of pure α-Al2O3 (NBS heat capacity and enthalpy standard reference material No. 720) from 273 to 1173 K. J Res Nat Bur Stand A 75A(5):401-420
Dubrawski J, Channon A, Warne SSJ (1989) Examination of the siderite-magnesite mineral series by Fourier transform infrared spectroscopy. Am Miner 74:187–190
Edwards HG, Villar SEJ, Jehlicka J, Munshi T (2005) FT–Raman spectroscopic study of calcium-rich and magnesium-rich carbonate minerals Spectrochimica Acta Part A. Mol Biomol Spectrosc 61:2273–2280
Effenberger H, Mereiter Κ, Zemann J (1981) Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates. Zeitschrift für Kristallographie-Crystalline Materials 156:233–244
Elderfield H, Chester R (1971) The effect of periodicity on the infrared absorption frequency v4 of anhydrous normal carbonate minerals american mineralogist. J Earth Planet Mater 56:1600–1606
Farmer V (1974) Mineralogical society monograph 4: the infrared spectra of minerals. The Mineralogical Society, London, 427
Fralick PW, Kronberg BI (1997) Geochemical discrimination of clastic sedimentary rock sources. Sed Geol 113:111–124
Frost RL, Palmer SJ (2011) Infrared and infrared emission spectroscopy of nesquehonite Mg(OH)(HCO3).2H2O-implications for the formula of nesquehonite. Spectrochim Acta A Mol Biomol Spectrosc 78:1255–1260
Frost RL, Bahfenne S, Graham J (2008a) Infrared and infrared emission spectroscopic study of selected magnesium carbonate minerals containing ferric iron–implications for the geosequestration of greenhouse gases. Spectrochim Acta A Mol Biomol Spectrosc 71:1610–1616
Frost RL, Martens WN, Wain DL, Hales MC (2008b) Infrared and infrared emission spectroscopy of the zinc carbonate mineral smithsonite. Spectrochim Acta A Mol Biomol Spectrosc 70:1120–1126
Gaffey SJ (1987) Spectral reflectance of carbonate minerals in the visible and near infrared (0.35–2.55 um): anhydrous carbonate minerals. J Geophys Res Solid Earth 92:1429–1440
García AC, Latifi M, Chaouki J (2020) Kinetics of calcination of natural carbonate minerals. Miner Eng 150:106279
Goldsmith A (1959) Thermophysical properties of solid materials. Armour Research Foundation, Wright Air Development Center, Technical reporter. 58-476
Gooding JL, Wentworth SJ, Zolensky ME (1991) Aqueous alteration of the Nakhla meteorite. Meteorit Planet Sci 26(2):135–143
Gunasekaran S, Anbalagan G, Pandi S (2006) Raman and infrared spectra of carbonates of calcite structure. J Raman Spectrosc Int J Orig Work Asp Raman Spectrosc Includ Higher Order Process Brillouin Rayleigh Scatt 37(9):892–899
Hamilton VE (2000) Thermal infrared emission spectroscopy of the pyroxene mineral series. J Geophys Res Planets 105:9701–9716
Hapke B (1996) A model of radiative and conductive energy transfer in planetary regoliths. J Geophys Res Planets 101:16817–16831
Hardgrove CJ, Rogers AD, Glotch TD, Arnold JA (2016) Thermal emission spectroscopy of microcrystalline sedimentary phases: Effects of natural surface roughness on spectral feature shape. J Geophys Res Planets 121:542–555
Herzberg G (1945) Molecular spectra and molecular structure. Vol. II: Infrared and Raman spectra of Polyatomic Molecules. Van Nostrand-Reinhold, New York
Holland TJB, Powell R (1990) An enlarged and updated internally consistent thermodynamic dataset with uncertainties and correlations: the system K2O-Na2O-CaO-MgO-MnO-FeO-Fe2O3-Al2O3-TiO2-SiO2-C-H2-O2. J Metamorph Geol 8(1):89–124
Holland TJB, Powell R (1998) An internally consistent thermodynamic data set for phases of petrological interest. J Metamorph Geol 16(3):309–343
Hook SJ, Gabell AR, Green AA, Kealy PS (1992) A comparison of techniques for extracting emissivity information from thermal infrared data for geologic studies. Remote Sens Environ 42:123–135
Huang C, Kerr PF (1960) Infrared study of the carbonate minerals American Mineralogist. J Earth Planet Mater 45:311–324
Jacobs MHG, de Jong BHWS (2009) Thermodynamic mixing properties of olivine derived from lattice vibrations. Phys Chem Miner 36:365–389
Jacobs GK, Kerrick DM, Krupka KM (1981) The high-temperature heat capacity of natural calcite (CaCO3). Phys Chem Minerals 7:55–59
Jaworske DA (1993) Thermal modeling of a calorimetric technique for measuring the emittance of surfaces and coatings. Thin Solid Films 236:146–152
Jones GC, Jackson B (2012) Infrared transmission spectra of carbonate minerals. Springer Science & Business Media, New York.
Jovanovski G, Stefov V, Šoptrajanov B, Boev B (2002) Minerals from Macedonia. IV Discrimination between some carbonate minerals by FTIR spectroscopy Neues Jahrbuch für Mineralogie-Abhandlungen. J Mineral Geochem 177:241–253
Keller WD, Spotts JH, Biggs DL (1952) Infrared spectra of some rock forming minerals. Am J Sci 250:453–471
Kieffer SW (1979) Thermodynamics and lattice vibrations of minerals 1. Mineral heat capacities and their relationships to simple lattice vibrational models. Rev Geophys 17:1–19
King P, Ramsey M, McMillan P, Swayze G (2004) Laboratory Fourier transform infrared spectroscopy methods for geologic samples. Infrared Spectrosc Geochem Explor Remote Sens 33:57–91
Klein CHJ, CS, (1977) Manual of mineralogy. John Wiley Sons, New York
Koga N, Yamane Y (2008) Thermal behaviors of amorphous calcium carbonates prepared in aqueous and ethanol media. J Therm Anal Calorim 94(2):379–387
Koga N, Nakagoe Y, Tanaka H (1998) Crystallization of amorphous calcium carbonate. Thermochim Acta 318:239–244
Korabel’nikov DV (2018) Vibrational and thermal properties of oxyanionic crystals. Phys Solid State 60:571–580
Lane MD (1997) Thermal emission spectroscopy of carbonates and evaporites: Experimental, theoretical, and field studies, Ph.D. dissertation, Arizona State University, Tempe
Lane MD (1999) Midinfrared optical constants of calcite and their relationship to particle size effects in thermal emission spectra of granular calcite. J Geophys Res Planets 104:14099–14108
Lane MD, Christensen PR (1997) Thermal infrared emission spectroscopy of anhydrous carbonates. J Geophys Res Planets 102:25581–25592
Lide D (1990) Handbook of chemistry physics, 71st edn. CRC Press Boston
Lyon RJP (1965) Analysis of rocks by spectral infrared emission (8 to 25 microns). Econ Geol 60:715–736
Makarounis O (1967) Heat capacity by the radiant energy absorption technique. 2nd Thermophysics Specialist Conference. 1–6
Maslen E, Streltsov V, Streltsova N, Ishizawa N (1995) Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3. Acta Crystallogr Sect B Struct Sci 51:929–939
Mckay DS, Gibson EK, Thomas-Keprta KL, Vali H, Romanek CS, Clemett SJ, Chillier XDF, Maechling CR, Zare RN (1996) Search for past life on mars: possible relic biogenic activity in martian meteorite ALH84001. Science 273:924–930
Michalski JR, Kraft MD, Sharp TG, Williams LB, Christensen PR (2005) Mineralogical constraints on the high-silica martian surface component observed by TES. Icarus 174:161–177
Michalski JR, Kraft MD, Sharp TG, Williams LB, Christensen PR (2006) Emission spectroscopy of clay minerals and evidence for poorly crystalline aluminosilicates on mars from thermal emission spectrometer data. J Geophys Res 111(E3):1–14
Michel FM, MacDonald J, Feng J, Phillips BL, Ehm L, Tarabrella C, Parise JB, Reeder RJ (2008) Structural characteristics of synthetic amorphous calcium carbonate. Chem Mater 20:4720–4728
Nair AM, Mathew G (2017) Geochemical modelling of terrestrial igneous rock compositions using laboratory thermal emission spectroscopy with an overview on its applications to Indian Mars Mission. Planet Space Sci 140:62–73
Reeder RJ (1983) Crystal chemistry of the rhombohedral carbonates. Rev Mineral Geochem 11:1-47
Rivkin A, Volquardsen E, Clark B (2006) The surface composition of Ceres: discovery of carbonates and iron-rich clays. Icarus 185:563–567
Robie RA, Hemingway BS (1994) Heat capacities of synthetic grossular (Ca3Al2Si3O12), macro-crystals of magnesite ((Mg0.991Fe0.005Ca0.003Mn0.001) CO3), high-temperature superconductors YBa2Cu3O6+x and BiCaSrCu2O6+x, and type 321 stainless steel. United States Geological Survey. Open File Report, 94–223.
Robie RA, Haselton H, Hemingway BS (1984) Heat capacities and entropies of rhodochrosite (MnCO3) and siderite (FeCO3) between 5 and 600 K. Am Mineral 69:349–357
Ruff SW, Christensen PR, Barbera PW, Anderson DL (1997) Quantitative thermal emission spectroscopy of minerals: a laboratory technique for measurement and calibration. J Geophys Res Solid Earth 102:14899–14913
Salisbury JW, D’Aria DM (1992) Emissivity of terrestrial materials in the 8–14 μm atmospheric window. Remote Sens Environ 42:83–106
Salisbury JW, Walter LS, Vergo N (1987) Mid-infrared (2.1–25 um) spectra of minerals. US Geological Survey
Santillán J, Williams Q (2004) A high-pressure infrared and X-ray study of FeCO3 and MnCO3: comparison with CaMg (CO3)2-dolomite. Phys Earth Planet Inter 143:291–304
Scheetz B, White W (1977) Vibrational spectra of the alkaline earth double carbonates. Am Miner 62:36–50
Scholle PA, Bebout DG, Moore CH (1983) Carbonate depositional environments. American Association of Petroleum Geologists, Memoir 33, Tulsa, Okla
Treiman AH, Barrett RA, Gooding JL (1993) Preterrestrial aqueous alteration of the Lafayette (SNC) meteorite. Meteoritics 28:86–97
Walter LS, Salisbury JW (1989) Spectral characterization of igneous rocks in the 8 to 12μm region. J Geophys Res Solid Earth 94:9203–9213
Wenrich ML, Christensen PR (1996) Optical constants of minerals derived from emission spectroscopy: application to quartz. J Geophys Res Solid Earth 101:15921–15931
Zhu Y, Li Y, Ding H, Lu A, Li Y, Wang C (2020) Infrared emission properties of a kind of natural carbonate: interpretation from mineralogical analysis. Phys Chem Miner 47:1–15
Acknowledgements
This research was supported by the Natural Science Foundation of China (Grant No. 91851208 and 41820104003), the National Key Research and Development Program (2019YFC1805901).
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Zhu, Y., Li, Y., Ding, H. et al. Multifactor-controlled mid-infrared spectral and emission characteristic of carbonate minerals (MCO3, M = Mg, Ca, Mn, Fe). Phys Chem Minerals 48, 15 (2021). https://doi.org/10.1007/s00269-021-01140-y
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DOI: https://doi.org/10.1007/s00269-021-01140-y