Autocorrelation analysis of infrared spectra can provide insights on the strain energy associated with cation substitutions along a solid-solution compositional join which to date has been applied primarily to silicate minerals. In this study, the method is applied to carbonates synthesized at 10 mol% increments along the calcite–dolomite (CaCO3–CaMg(CO3)2) join in the range of 1000–1150 °C and 0.6–2.5 GPa for the purpose of determining how the band broadening in both the far- and mid-infrared ranges, as represented by the autocorrelation parameter δΔCorr, compares with the existing enthalpy of mixing data for this join. It was found that the carbonate internal vibration ν2 (out-of-plane bending) in the mid-infrared range, and the sum of the three internal vibration modes ν4 + ν2 + ν3 most closely matched the enthalpy of mixing data for the synthetic carbonates. Autocorrelation analysis of a series of biogenic carbonates in the mid-infrared range showed only a systematic variation for the ν2 band. Using the biogenic carbonate with the lowest Mg content for reference, the trend in δΔCorr for biogenic carbonates shows a steady increase with increasing Mg content suggesting a steady increase in solubility with Mg content. The results from this study indicate that autocorrelation analysis of carbonates in the mid-infrared range provides an independent and reliable assessment of the crystallographic strain energy of carbonates. In particular, inorganic carbonates in the range of 0–17 mol% MgCO3 experience a minimum in strain energy and a corresponding minimum in the enthalpy of mixing, whereas biogenic carbonates show a steady increase in strain energy with increasing MgCO3 content. In the event of increasing ocean acidification, biogenic carbonates in the range of 0–17 mol% MgCO3 will dissolve more readily than the compositionally equivalent inorganic carbonates.
Physics and Chemistry of Minerals – Springer Journals
Published: Jan 19, 2018
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