Browsing Faculty of Natural and Agricultural Sciences by Subject "Speciation"
Now showing items 1-8 of 8
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Density functional theory prediction of the aqueous speciation of ZrF4 and HfF4
(SAIMM, 2018)Computational chemistry was used to make predictions regarding the stepwise hydrolysis and fluoride dissociation reactions of ZrF4 and HfF4 in aqueous solutions. Specifically, density functional theory was used to predict ... -
Density functional theory study with and without COSMO of H2SO4 reactions in an aqueous environment for metal extraction
(Wiley, 2019)In a recent study investigating the suitability of solvent extraction (SX) for the separation of Ta and Nb, it was shown that speciation data would be required to help explain the data obtained. As traditional speciation ... -
Dependency on chloride concentration and ‘in-sphere’ oxidation of H2O for the effective TiO2-photocatalysed electron transfer from H2O to [PdCln(H2O)4−n]2−n (n = 0–4) in the absence of an added sacrificial reducing agent
(Elsevier, 2012)The photocatalytic reduction trends of palladium chloride aqua complexes, [PdCln(H2O)4−n]2−n (n = 0–4), have been investigated employing titanium dioxide (TiO2) as photocatalyst in the absence of an added sacrificial ... -
The impeding effect of dissolved oxygen on the photocatalytic reduction of [PdCln(H2O)4−n]2−n (n = 0–4) complexes employing different TiO2 photocatalysts in the absence of an added sacrificial reducing agent
(Elsevier, 2013)The photocatalytic reduction of chloro-aqua palladium(II) complexes, [PdCln(H2O)4−n]2−n (n = 0-4), as a means of palladium metal recovery and waste water purification, was investigated employing four different titanium ... -
Molecular modelling of tantalum fluoride in sulphuric acid medium: a DFT study
(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 penta-halides during hydrolysis and oxidation reactions
(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 ... -
Photocatalytic reduction of platinum(II and IV) from their chloro complexes in a titanium dioxide suspension in the absence of an organic sacrificial reducing agent
(Elsevier, 2014)The thermodynamics and surface chemistry affecting the photocatalytic reduction of chloro aqua platinum( II) and platinum(IV) complexes as means of platinum recovery from solution are communicated. The photocatalytic ... -
Phylogeny and biogeography of the African burrowing snake subfamily Aparallactinae (Squamata: Lamprophiidae)
(Elsevier, 2018)Members of the snake subfamily Aparallactinae occur in various habitats throughout sub-Saharan Africa. The monophyly of aparallactine snakes is well established, but relationships within the subfamily are poorly known. We ...