Determination of pressure from measured Raman frequency shifts of anhydrite and its application in fluid inclusions and HDAC experiments

Yuan, Xueyin; Mayanovic, Robert A.; Zheng, Hongyu

doi:10.1016/j.gca.2016.09.002

Cited by 13 publications

(20 citation statements)

References 43 publications

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“…With increasing pressure all observed Raman bands shifted to higher frequencies systematically, at ∂ ν /∂ p rates of 2.68 ± 0.07, 6.40 ± 0.07, 2.47 ± 0.05 and 4.36 ± 0.01 cm –1 /GPa for the T 1 , T 2 , ν 1 and ν 4 Raman vibrations, respectively (Figs 2 and 3). The measured Raman peak positions and peak shifting rates with pressure in this study are in good agreement with the results from other research (Liu and Mernagh, 1990; Buzgar and Apopei, 2009; Fu and Zheng, 2013; Yuan et al , 2016). The influence of pressure on the calcite lattice and C–O vibrations has been discussed in detail by Gillet et al (1993) and will not be repeated in this research.…”

Section: Resultssupporting

confidence: 92%

“…Among the many high-pressure experiments carried out investigating the phase relations among CaCO 3 high-pressure polymorphs, CaCO 3 -III has been confirmed extensively to be the stable phase at pressures above 2 GPa under ambient temperature, whereas CaCO 3 -IIIb was reported to be a phase coexisting with CaCO 3 -III in only a few results in the literature (Davis, 1964; Fong and Nicol, 1971; Liu and Mernagh, 1990; Suito et al , 2001; Catalli and Williams, 2005; Oganov et al , 2006; Wang and Zheng, 2011; Merlini et al , 2014; Yuan et al , 2016; Liu et al , 2017). This indicates that CaCO 3 -IIIb should be less stable than CaCO 3 -III under such conditions.…”

Section: Discussionmentioning

confidence: 99%

“…Hydrostatic pressures within the sample chamber were achieved by using a conventional 4:1 methanol–ethanol fluid as a pressure-transmitting medium. Pressure calibration was udertaken by using the relative peak position shifts of the ν 1, 1016 Raman peak of anhydrite at pressures below 2.2 GPa (Yuan et al , 2016), and from the ν 1, 1103 Raman peak shift of CaCO 3 -IIIb (Pippinger et al , 2015) under higher pressures. In order to investigate the influence of calcite sample quality on the CaCO 3 phase transition pressures, three natural calcite samples were crushed and six fragments (Cal-A–F), each measuring 50–100 µm in length and width and ~50 µm in thickness, were selected for this high-pressure experiment (Fig.…”

Section: Experimental Methodsmentioning

confidence: 99%

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An in situ study of the phase transitions among CaCO3 high-pressure polymorphs

Yuan

Gao

2018

MinMag

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The phase transitions involving calcite (CaCO3-I), CaCO3-II, CaCO3-III and CaCO3-IIIb were investigated using a diamond anvil cell and micro-Raman spectroscopy. Based on the results obtained from in situ observations and Raman measurements made with six natural calcite crystals, the phase transition from calcite to CaCO3-II took place between 1.56 and 1.67 GPa under ambient temperature. Under a precise pressure of 1.97 ± 0.03 GPa, three CaCO3 samples were observed to transform from CaCO3-II directly to CaCO3-III, while in the other three samples both CaCO3-III and CaCO3-IIIb crystal structures were detected. Transformation from CaCO3-IIIb to CaCO3-III was completed in a short period in one sample, whereas in the other two samples coexistence of CaCO3-III and CaCO3-IIIb was observed over a wide pressure range from 1.97 to 3.38 GPa, with sluggish transformation from CaCO3-IIIb to CaCO3-III being observed after the samples were preserved under 3.38 GPa for 72 h. Hence, it can be concluded that CaCO3-IIIb is a metastable intermediate phase occurring during the reconstructive transformation from CaCO3-II to CaCO3-III. Splitting of the C–O in-plane bending (ν4) and symmetric stretching (ν1) vibrations and appearance of new lattice vibrations in the Raman spectra of CaCO3-III and CaCO3-IIIb suggest a lowering in crystal symmetry during the transformation from CaCO3-II through CaCO3-IIIb to CaCO3-III, which is in good agreement with the observed sequence of phase symmetries.

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Section: Resultssupporting

confidence: 92%

Section: Discussionmentioning

confidence: 99%

Section: Experimental Methodsmentioning

confidence: 99%

See 1 more Smart Citation

An in situ study of the phase transitions among CaCO3 high-pressure polymorphs

Yuan

Gao

2018

MinMag

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“…Their internal bending modes are located in the frequency range between 250 and 700 cm −1 (Figure 1c). The group of bands in the 250-460 cm −1 range may be attributed to the v 2 bending modes of the SO 4 and SiO 4 tetrahedra [19,20]. The bands near 428 (no.…”

Section: Room Temperature (Rt) Raman Spectrummentioning

confidence: 95%

In Situ Hyperspectral Raman Imaging of Ternesite Formation and Decomposition at High Temperatures

et al. 2020

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Knowledge of the high-temperature properties of ternesite (Ca5(SiO4)2SO4) is becoming increasingly interesting for industry in different ways. On the one hand, the high-temperature product has recently been observed to have cementitious properties. Therefore, its formation and hydration characteristics have become an important field of research in the cement industry. On the other hand, it forms as sinter deposits in industrial kilns, where it can create serious problems during kiln operation. Here, we present two highlights of in situ Raman spectroscopic experiments that were designed to study the high-temperature stability of ternesite. First, the spectra of a natural ternesite crystal were recorded from 25 to 1230 °C, which revealed a phase transformation of ternesite to the high-temperature polymorph of dicalcium silicate (α’L-Ca2SiO4), while the sulfur is degassed. With a heating rate of 10 °C/h, the transformation started at about 730 °C and was completed at 1120 °C. Using in situ hyperspectral Raman imaging with a micrometer-scale spatial resolution, we were able to monitor the solid-state reactions and, in particular, the formation properties of ternesite in the model system CaO-SiO2-CaSO4. In these multi-phase experiments, ternesite was found to be stable between 930 to 1020–1100 °C. Both ternesite and α’L-Ca2SiO4 were found to co-exist at high temperatures. Furthermore, the results of the experiments indicate that whether or not ternesite or dicalcium silicate crystallizes during quenching to room temperature depends on the reaction progress and possibly on the gas fugacity and composition in the furnace.

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“…The HDAC sample chamber was assembled by sealing two opposed low‐fluorescence diamond anvils with 800‐μm diameter culets, against an ~400 μm in diameter hole in the center of a 250‐μm‐thick rhenium gasket. Temperature of the samples was measured using K ‐type thermocouples attached to each of the anvils, to accuracies of ±1 and ±2°C from the set point at temperatures below and above 300°C, respectively 40 . Pressure at a given temperature was determined using the relative vibrational frequency shifts of the 464 cm −1 Raman peak of natural inclusion‐free quartz, with uncertainties of ±50 MPa based on the attainable accuracy of ±0.2 cm −1 in the selected Raman peak positions 36 …”

Section: Experimental Methodsmentioning

confidence: 99%

Application of calcite, Mg‐calcite, and dolomite as Raman pressure sensors for high‐pressure, high‐temperature studies

Yuan

Xiong

Zhang

et al. 2020

J Raman Spectroscopy

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The Raman spectra of calcite, Mg‐calcite, and dolomite were measured under ambient and high pressure–temperature (P‐T) conditions using a hydrothermal diamond anvil cell, for the purpose of developing new pressure sensors suited for experiments investigating the physicochemical properties of carbonate minerals. By fitting the Raman vibrational frequencies as functions of pressure and temperature, pressure (P, in MPa) can be determined from relative frequency shifts (in cm−1) of the symmetric stretching (ν1) and librational (νL) lattice vibrations of calcite: P = 229(1) × (ν1 calcite, HP − ν1 calcite, ref), P = 162(1) × (νL calcite, HP − νL calcite, ref), or from the translational (νT) and librational (νL) lattice vibrations of dolomite: P = 371(3) × [(νL dolomite, HP − νT dolomite, HP) − (νL dolomite, ref − νT dolomite, ref)], where νref is the value under ambient P‐T conditions. Under elevated temperatures, correction for the effect of temperature (T, in °C) on the Raman frequency shifts can be accomplished through ν1 calcite, HT = ν1 calcite, ref − 6.8(5) × 10−6 × T2–0.0051(3) × T + 0.12, νL calcite, HT = νL calcite, ref − 1.07(12) × 10−5 × T2–0.00341(7) × T + 0.76, νL dolomite, HT − νT dolomite, HT = (νL dolomite, ref − νT dolomite, ref) − 0.0198(3) × T + 0.45. Application of the calcite and dolomite Raman pressure sensors should be made on condition that no phase transitions or breakdown reactions occur under high P‐T conditions, with errors of ±50 MPa and ± 5% at pressures below and above 1.0 GPa, respectively. Results from an additional experiment showed that pressures determined using alternate Raman pressure calibration methods were self‐consistent and in excellent agreement with the results determined using the ν1 Raman peak shifts of aragonite.

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Determination of pressure from measured Raman frequency shifts of anhydrite and its application in fluid inclusions and HDAC experiments

Cited by 13 publications

References 43 publications

An in situ study of the phase transitions among CaCO3 high-pressure polymorphs

An in situ study of the phase transitions among CaCO3 high-pressure polymorphs

In Situ Hyperspectral Raman Imaging of Ternesite Formation and Decomposition at High Temperatures

Application of calcite, Mg‐calcite, and dolomite as Raman pressure sensors for high‐pressure, high‐temperature studies

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