Browsing Faculty of Natural and Agricultural Sciences by Subject "Modelling"
Now showing items 1-4 of 4
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DFT modelling of tantalum pentafluoride extraction with phosphorus-based extractants – a molecular dynamics study
(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
(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 ... -
Species composition of tetranychoid mites (Acari: Trombidiformes: Prostigmata: Tetranychoidea) in main landscapes of Tehran and modelling ecological niche of Tetranychoidea in main climates of Tehran Province, Iran
(Walter de Gruyter GmbH, 2016)Tetranychoid communities from urban landscapes of Tehran area were compared in 2012. The landscapes covering two main climates of Tehran Province and the related regions were mostly planted with Ulmus, Platanus, Ficus and ...