Unveiling the hafnium speciation in acid aqueous solution

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  • Presentation type: Apresentação de Pôster / Poster Communications
  • Track: Gas Phase
  • Keywords: DFT; Hafnium; Paper Spray Ionization;

Authors:

  • 1 Departamento de Química / Instituto de Ciências Exatas / Universidade Federal de Minas Gerais
  • 2 Universidade Federal de Minas Gerais

Unveiling the hafnium speciation in acid aqueous solution

Alexandre Bertoli

Federal University of Rio de Janeiro

Abstract

The Zirconium/Hafnium separation is a challenge beyond mineral extraction processes.
Chemical speciation of Hf(IV) at the presence of fluoride and nitric acid.
The paper spray ionization mass spectrometry combined with DFT unveil speciation.

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Author

Alexandre Bertoli

Boa noite Mateus. 

Fico contente que tenha gostado do trabalho. Obrigado!

O solvente foi aplicado de forma implícita (PCM). As moléculas de água estão coordenadas ao metal, mas não foram usadas de forma explícita. A temperatura considerada foi de 298 K.

Qualquer dúvida estou a disposição.