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Calculation of thermodynamic properties of gold and silver complexes of mixed composition |
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| Authors: | N. S. Bekturganov D. B. Gogol’ M. R. Bisengalieva A. S. Mukusheva A. K. Koizhanova L. L. Osipovskaya |
| Affiliation: | 1. Parasat National Research and Technology Holding, Astana, Kazakhstan 2. Institute for the Problems of Complex Development of Mineral Resources, Karaganda, Kazakhstan 3. Earth Science, Metallurgy, and Concentration Corporation, Almaty, Kazakhstan |
| Abstract: | Computation for gold and silver complexes of mixed composition with cyanide, rhodanide, and thiosulfate anions was carried out by PM6 semiempirical method. Heats of formation in a gas phase and aqueous medium and hydration energies were determined for 224 possible structure variations. For 15 most stable structures, thermodynamic parameters of interaction with AM-2B anionite were determined: adsorption energies, energetically favorable configurations, activation energies, potential energy surfaces, etc. |
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