Quantum chemical comparison between the reaction of water with liquid sodium containing Ti-nanoparticles and pure liquid sodium

Ai Suzuki, Patrick Alain Bonnaud, Masayuki Miyano, Hokuto Hata, Ryuji Miura, Jun Ichi Saito, Kuniaki Ara

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The liquid-sodium-water reaction is investigated by using accelerated quantum chemical molecular dynamics study at 773 K. Pure sodium atoms at the interface lost electrons when they encounter the water molecules. A hydrogen molecule via following reaction, H-O-H (gas) + H...-Na → Na + OH + H2 ↑: δH was produced on the gas-liquid interface where liquid sodium met the water molecules by collision of electronegative hydrogen atom in the liquid sodium with electropositive hydrogen atom of the OH-fragment. However, hydrogen atoms in the sodium including a Ti nanoparticle have difficulty to become electronegative in the already electropositive liquid sodium, thus preventing a production of H2 gas.

Original languageEnglish
Title of host publication2017 International Congress on Advances in Nuclear Power Plants, ICAPP 2017 - A New Paradigm in Nuclear Power Safety, Proceedings
PublisherInternational Congress on Advances in Nuclear Power Plants, ICAPP
ISBN (Electronic)9784890471676
Publication statusPublished - 2017 Jan 1
Event2017 International Congress on Advances in Nuclear Power Plants: A New Paradigm in Nuclear Power Safety, ICAPP 2017 - Fukui and Kyoto, Japan
Duration: 2017 Apr 242017 Apr 28

Publication series

Name2017 International Congress on Advances in Nuclear Power Plants, ICAPP 2017 - A New Paradigm in Nuclear Power Safety, Proceedings

Other

Other2017 International Congress on Advances in Nuclear Power Plants: A New Paradigm in Nuclear Power Safety, ICAPP 2017
CountryJapan
CityFukui and Kyoto
Period17/4/2417/4/28

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Nuclear Energy and Engineering

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