Now showing items 1-5 of 5

    • DFT modelling of tantalum pentafluoride extraction with phosphorus-based extractants – a molecular dynamics study 

      Ungerer, M.J.; Van Sittert, C.G.C.E.; Van der Westhuizen, D.J.; Krieg, H.M. (Elsevier, 2019)
      Solvent extraction (SX) is a powerful method for both the separation and extraction of metals, resulting in high purity metals. The transition metals tantalum (Ta) and niobium (Nb) are of considerable significance, for ...
    • Molecular modelling of tantalum fluoride in sulphuric acid medium: a DFT study 

      Ungerer, M.J.; Van der Westhuizen, D.J.; Krieg, H.M.; Van Sittert, C.G.C.E. (Elsevier, 2019)
      During the solvent extraction (SX) experiments of tantalum (Ta) and niobium (Nb), the aqueous phase consisted of tantalum- and niobium penta-fluoride (Ta(Nb)F5), water (H2O) and sulphuric acid (H2SO4), which was contacted ...
    • Molecular modelling of tantalum in an aqueous phase 

      Ungerer, M.J.; Van Sittert, C.G.C.E.; Van der Westhuizen, D.J.; Krieg, H.M. (SAIMM, 2017)
      The transition metals tantalum (Ta) and niobium (Nb) are of significant importance, for example in the nuclear energy sector where they are used as cladding materials, as well as in capacitors and specialized materials. For ...
    • Molecular modelling of tantalum penta-halides during hydrolysis and oxidation reactions 

      Ungerer, M.J.; Van Sittert, C.G.C.E.; Van der Westhuizen, D.J.; Krieg, H.M. (Elsevier, 2016)
      The transition metals tantalum (Ta) and niobium (Nb), which are usually found together in nature, have similar chemical and physical properties, making their separation challenging. There are various methods available for ...
    • Molecular modelling of the hydrolysis of tantalum and niobium pentafluoride 

      Ungerer, Marietjie J.; Van der Westhuizen, Derik J.; Krieg, Henning M.; Van Sittert, Cornelia G.C.E. (Trans Tech Publications, 2014)
      Tantalum (Ta) and niobium (Nb) are two metals with similar chemical and physical properties and are found together in nature. One form of Ta is tantalum pentafluoride, which is stable in reducing environments, is corrosive ...