Effects of chlorine on aluminum refining: a review and an ab initio molecular dynamics study

Yang Liu, Baode Sun, Jun Wang, Yongbing Dai

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

1 Citation (Scopus)


A comprehensive introduction of current aluminum refining technology is reviewed in this work especially the effects of chlorine on refining process is discussed. The mechanism of chlorine on improving hydrogen diffusion has been studied by ab initio molecular dynamics calculations and we obtain the diffusivity of hydrogen in liquid aluminum which is in agreement with the experimental data. It can be concluded that the diffusion of hydrogen in aluminum melts can be enhanced on the presence of chlorine.

Original languageEnglish
Title of host publicationMaterials, Mechatronics and Automation
EditorsDehuai Zeng
PublisherTrans Tech Publications
Number of pages6
ISBN (Print)9783037850176
Publication statusPublished - 2011
Externally publishedYes
EventInternational Conference on Materials, Mechatronics and Automation 2011 - Melbourne, Australia
Duration: 15 Jan 201116 Jan 2011

Publication series

NameKey Engineering Materials
PublisherTrans Tech Publications
ISSN (Print)1013-9826
ISSN (Electronic)1662-9795


ConferenceInternational Conference on Materials, Mechatronics and Automation 2011
Abbreviated titleICMMA 2011


  • Ab initio MD
  • Degassing
  • Diffusion coefficient
  • Fluxing
  • Gas injection

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