2014
DOI: 10.1557/opl.2014.635
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A tool to draw chemical equilibrium diagrams using SIT: Applications to geochemical systems and radionuclide solubility

Abstract: A set of computer programs has been developed to draw chemical-equilibrium diagrams. This new software is the Java-language equivalent to the Medusa/Hydra software (developed some time ago in Visual basic at the Royal Institute of Technology, Stockholm, Sweden). The main program, now named “Spana” calls Java programs based on the HaltaFall algorithm. The equilibrium constants that are needed for the calculations may be retrieved from a database included in the software package (“Database” program). This new so… Show more

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Cited by 73 publications
(70 citation statements)
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“…The formation of (UO2)3(OH)5 + and (UO2)4(OH)7 + is welldocumented [16]. They can locate on silanols Si-OH or aluminols Al-OH.…”
Section: Sorption Isothermsmentioning
confidence: 96%
“…The formation of (UO2)3(OH)5 + and (UO2)4(OH)7 + is welldocumented [16]. They can locate on silanols Si-OH or aluminols Al-OH.…”
Section: Sorption Isothermsmentioning
confidence: 96%
“…On one hand, it is important to determine the equilibrium conditions, in order to prevent the generation of undesirable species, such as permanganate. For this purpose, the MEDUSA (Making Equilibrium Diagrams Using Sophisticated Algorithms) [21] software was employed, considering the initial solution composition (6000 ppm Mn(II) in 1 M H 2 SO 4 ; equivalent to 109 mM Mn(II) and 1.11 M SO 4 2À ). In Fig.…”
Section: Thermodynamic Studymentioning
confidence: 99%
“…The fractions of the different chemical species in the experimental aqueous media were calculated using the MEDUSA (Make Equilibrium Diagrams Using Sophisticated Algorithms) software [26] using the constants of the Hydra database that are included in the software. In order to compare the results of these calculations, Visual MINTEQ ver.…”
Section: Methodsmentioning
confidence: 99%
“…The concentration of each ligand added to the donor solution was set considering both having the same initial Zn(II) in the aqueous media (~2 mg L −1 ), as in experiments performed without the presence of ligands, and having a measurable part of the Zn(II) not complexed by the ligands. Given this, Medusa software [26] was used to calculate the ligand concentrations to be added to the donor solution. Resulting donor solutions consisted of 500 mL of 1.5 mg L −1 citric acid and 2 mg L −1 of Zn(II) in a 0.1 M NaNO 3 aqueous media (pH 5.5) for the citric ligand, and 500 mL of a 5 mg L −1 of EDTA and 2 mg L −1 of Zn(II) solution at pH 5.8 in 0.1 M NaNO 3 aqueous media in the case of EDTA.…”
Section: Methodsmentioning
confidence: 99%