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Your search keyword '"Botan-Neto, Benedito Donizeti"' showing total 4 results
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4 results on '"Botan-Neto, Benedito Donizeti"'

2. List of contributors

Author

Andrade, César A.S., primary, Avelino, Karen Y.P.S., additional, Babapoor, Aziz, additional, Botan Neto, Benedito Donizeti, additional, Cardoso, Anamaria de Oliveira, additional, Casanova-Moreno, Jannu R., additional, Castaño-Guerrero, Y., additional, Chiappim, William, additional, Coria-Oriundo, Lucy L., additional, de Oliveira, Danilo Bretas, additional, Diaz-Gonzalez, Jancarlo, additional, do Nascimento, Luiza Aguiar, additional, Ferreira, Lucas Franco, additional, Fraga, Mariana Amorim, additional, Franco, Diego Leoni, additional, Frías, Isaac A.M., additional, Gao, Feng, additional, Ghahramani, Yasamin, additional, Han, Jisheng, additional, Hashemi, Seyyed Alireza, additional, Herrera-Celis, José, additional, Kalashgrani, Masoomeh Yari, additional, Lai, Chin Wei, additional, Lima, Thaís Machado, additional, Martins, G.V., additional, Martins, Helen Rodrigues, additional, Min, Rui, additional, Mokhberi, Marzieh, additional, Mousavi, Seyyed Mojtaba, additional, Oliveira, Maria D.L., additional, Ottone, Vinícius de Oliveira, additional, Pereira, Arnaldo César, additional, Pessoa, Rodrigo Savio, additional, Sales, M.G.F., additional, Santos, S., additional, Shen, Lingyu, additional, Silva-Junior, Alberto G., additional, Silva, Thyago José, additional, Soares, Priscila Izabela, additional, Sun, Junyong, additional, Tao, Zhen, additional, Ávila-Niño, José A., additional, Vieira, Etel Rocha, additional, Wang, Zhuo, additional, Zhang, Qiang, additional, and Zhong, Yu, additional

Published
2024
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3. Dense Hydrated Magnesium Carbonate MgCO3·3H2O Phases

Author

Botan-Neto, Benedito Donizeti, Santamaria-Perez, David, Bayarjargal, Lkhamsuren, Bykova, Elena, Gonzalez-Platas, Javier, and Otero-de-la-Roza, Alberto

Abstract

The study of the structural stability of carbonates under different pressure and temperature conditions is important for modeling the carbon budget in the Earth’s interior and the stability of carbonation products of carbon capture and storage (CCS) solutions. In this work, we confirm the existence of the two dense polymorphs of the hydrated magnesium carbonate MgCO3·3H2O nesquehonite mineral previously reported, and we characterize their structures using synchrotron single-crystal X-ray diffraction at 3.1 and 11.6 GPa. Phase transitions entail the distortion and atomic rearrangement of the Mg-centered polyhedra and the tilting of the [CO3] carbonate units. In particular, the Mg coordination number increases from 6 in nesquehonite to 7 in the second high-pressure phase, while maintaining a topology based on complex MgCO3(H2O)2chains. We also studied their vibrational behavior upon compression using Raman spectroscopy and complemented the experimental results with density-functional theory (DFT) calculations. The role played by hydrogen bonds in the compressibility and the polymorphism of this hydrated carbonate is also discussed.

Published
2024
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4. Dense Hydrated Magnesium Carbonate MgCO 3 ·3H 2 O Phases.

Author

Botan-Neto BD, Santamaria-Perez D, Bayarjargal L, Bykova E, Gonzalez-Platas J, and Otero-de-la-Roza A

Abstract

The study of the structural stability of carbonates under different pressure and temperature conditions is important for modeling the carbon budget in the Earth's interior and the stability of carbonation products of carbon capture and storage (CCS) solutions. In this work, we confirm the existence of the two dense polymorphs of the hydrated magnesium carbonate MgCO 3 ·3H 2 O nesquehonite mineral previously reported, and we characterize their structures using synchrotron single-crystal X-ray diffraction at 3.1 and 11.6 GPa. Phase transitions entail the distortion and atomic rearrangement of the Mg-centered polyhedra and the tilting of the [CO 3 ] carbonate units. In particular, the Mg coordination number increases from 6 in nesquehonite to 7 in the second high-pressure phase, while maintaining a topology based on complex MgCO 3 (H 2 O) 2 chains. We also studied their vibrational behavior upon compression using Raman spectroscopy and complemented the experimental results with density-functional theory (DFT) calculations. The role played by hydrogen bonds in the compressibility and the polymorphism of this hydrated carbonate is also discussed.

Published
2024
Full Text
View/download PDF

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