Computer simulation of the low-molecular-weight inorganic species distribution of antimony(III) and antimony(V) in natural waters
Filella, M. and May, P.M. (2003) Computer simulation of the low-molecular-weight inorganic species distribution of antimony(III) and antimony(V) in natural waters. Geochimica et Cosmochimica Acta, 67 (21). pp. 4013-4031.
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Computer speciation models of antimony in aqueous, multicomponent solutions of environmental and biological interest have been developed. Antimony is an element of increasing environmental significance but one whose chemical speciation has not previously been modelled in any comprehensive way. The available thermodynamic data have been critically evaluated and entered into a thermodynamic database. The JESS suite of computer programs has been used to develop the thermodynamically-consistent mass balance equations used for modelling purposes. The calculated speciation distributions successfully account for some but not all key known properties of antimony in natural waters. It is believed that the main difference is most likely due to kinetic factors.
|Publication Type:||Journal Article|
|Murdoch Affiliation:||School of Mathematical and Physical Sciences|
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