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Title: Aragonite-II and CaCO 3 -VII: New High-Pressure, High-Temperature Polymorphs of CaCO 3

Authors:
ORCiD logo [1];  [1];  [2];  [3]; ORCiD logo [1];  [4];  [5];  [6];  [7];  [1]
  1. Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, prosp. acad. Koptyuga 3, 630090 Novosibirsk, Russia; Novosibirsk State University, Pirogova 2, Novosibirsk 630090, Russia
  2. L.N. Gumilyov Eurasian National University, Satpayev 2, Astana 010008, Kazakhstan; National University of Science and Technology MISIS, 4 Leninskiy pr., Moscow 119049, Russian Federation
  3. National University of Science and Technology MISIS, 4 Leninskiy pr., Moscow 119049, Russian Federation
  4. Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, prosp. acad. Koptyuga 3, 630090 Novosibirsk, Russia
  5. Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, prosp. acad. Koptyuga 3, 630090 Novosibirsk, Russia; Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015, United States
  6. Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015, United States
  7. Center for Advanced Radiation Sources, University of Chicago, Chicago, Illinois 60637, United States
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1413305
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystal Growth and Design; Journal Volume: 17; Journal Issue: 12
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Gavryushkin, Pavel N., Martirosyan, Naira S., Inerbaev, Talgat M., Popov, Zakhar I., Rashchenko, Sergey V., Likhacheva, Anna Yu., Lobanov, Sergey S., Goncharov, Alexander F., Prakapenka, Vitali B., and Litasov, Konstantin D. Aragonite-II and CaCO 3 -VII: New High-Pressure, High-Temperature Polymorphs of CaCO 3. United States: N. p., 2017. Web. doi:10.1021/acs.cgd.7b00977.
Gavryushkin, Pavel N., Martirosyan, Naira S., Inerbaev, Talgat M., Popov, Zakhar I., Rashchenko, Sergey V., Likhacheva, Anna Yu., Lobanov, Sergey S., Goncharov, Alexander F., Prakapenka, Vitali B., & Litasov, Konstantin D. Aragonite-II and CaCO 3 -VII: New High-Pressure, High-Temperature Polymorphs of CaCO 3. United States. doi:10.1021/acs.cgd.7b00977.
Gavryushkin, Pavel N., Martirosyan, Naira S., Inerbaev, Talgat M., Popov, Zakhar I., Rashchenko, Sergey V., Likhacheva, Anna Yu., Lobanov, Sergey S., Goncharov, Alexander F., Prakapenka, Vitali B., and Litasov, Konstantin D. 2017. "Aragonite-II and CaCO 3 -VII: New High-Pressure, High-Temperature Polymorphs of CaCO 3". United States. doi:10.1021/acs.cgd.7b00977.
@article{osti_1413305,
title = {Aragonite-II and CaCO 3 -VII: New High-Pressure, High-Temperature Polymorphs of CaCO 3},
author = {Gavryushkin, Pavel N. and Martirosyan, Naira S. and Inerbaev, Talgat M. and Popov, Zakhar I. and Rashchenko, Sergey V. and Likhacheva, Anna Yu. and Lobanov, Sergey S. and Goncharov, Alexander F. and Prakapenka, Vitali B. and Litasov, Konstantin D.},
abstractNote = {},
doi = {10.1021/acs.cgd.7b00977},
journal = {Crystal Growth and Design},
number = 12,
volume = 17,
place = {United States},
year = 2017,
month =
}
  • No abstract prepared.
  • Powder and single crystal Raman spectra of the two most common phases of calcium carbonate are calculated with ab initio techniques (using a “hybrid” functional and a Gaussian-type basis set) and measured both at 80 K and room temperature. Frequencies of the Raman modes are in very good agreement between calculations and experiments: the mean absolute deviation at 80 K is 4 and 8 cm{sup −1} for calcite and aragonite, respectively. As regards intensities, the agreement is in general good, although the computed values overestimate the measured ones in many cases. The combined analysis permits to identify almost all themore » fundamental experimental Raman peaks of the two compounds, with the exception of either modes with zero computed intensity or modes overlapping with more intense peaks. Additional peaks have been identified in both calcite and aragonite, which have been assigned to {sup 18}O satellite modes or overtones. The agreement between the computed and measured spectra is quite satisfactory; in particular, simulation permits to clearly distinguish between calcite and aragonite in the case of powder spectra, and among different polarization directions of each compound in the case of single crystal spectra.« less
  • Highlights: ► Crystallization of CaCO{sub 3} between 60 and 230 °C in the presence of DTPA. ► Formation of exclusive and individual polymorphs at different temperatures. ► Violation of second law of thermodynamics/Ostwald rule of stages has been observed. - Abstract: Calcium carbonate was precipitated from calcium chloride using sodium carbonate in the presence of diethylenetriaminepentaacetic acid (DTPA) between 60 and 230 °C. The samples were characterized by FTIR, Raman, XRD and SEM techniques. CaCO{sub 3} with different crystal morphologies such as spherolite/datura pod, dumbbell, peanut, were obtained depending on the experimental conditions. The results showed that pure aragonite, calcitemore » and vaterite were formed at low, moderate and high temperatures respectively. A binary mixture of calcite and vaterite was resulted between 150 and 200 °C. The data suggested an unusual conversion of stable calcite to meta stable vaterite at higher temperature in presence of DTPA. The study revealed a novel methodology for the exclusive/individual preparation of different crystalline polymorphs of CaCO{sub 3}. Formation of pure vaterite above 200 °C divulged the possibility of DTPA as a potential scale inhibitor and boiler sludge conditioner at elevated temperatures.« less
  • Recent years, CaO-based synthetic materials have been attracted attention as potential adsorbents for CO{sub 2} capture mainly due to their high CO{sub 2} adsorption capacity. In this study, micro/nanostructured aragonite CaCO{sub 3} was synthesized by a simple hydrothermal method with using polyacrylamide (PAM). The structural, morphological and thermal properties of the synthesized sample were investigated by X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM) and thermogravimetry analysis (TG-DTA). The XRD and FESEM results showed that the obtained sample was aragonite CaCO{sub 3} with aggregated nanorods and microspheres composed of nanorods. A TG-DTA apparatus with Thermoplus 2 software was used tomore » investigate the effect of carbonation temperature on the CO{sub 2} adsorption capacity of CaO derived from aragonite CaCO{sub 3} sample. At 300 °C, the sample reached the CO{sub 2} adsorption capacity of 0.098 g-CO{sub 2}/g-adsorbent, whereas the sample achieved the highest capacity of 0.682 g-CO{sub 2}/g-adsorbent at 700 °C. The results showed that the carbonation temperature significantly influenced on the CO{sub 2} adsorption capacity of the CaO derived from aragonite CaCO{sub 3}.« less
  • The study of calcium carbonate (CaCO/sub 3/) scale inhibition in geopressured energy systems has led to the development of a flow system with high temperature and pressure capability. A high-pressure (performance) liquid chromatograph (HPLC) was modified by the addition of a backpressure valve and by bypassing the HPLC packed column. Solution mixing and temperature are computer-controlled, and CaCO13B precipitation is monitored by in-line pH measurement. Simulated and real brine samples were used to evaluate scale inhibitors, and CaCO/sub 3/ precipitation was related to the saturation index, I/sub s/.