Calculation of thermodynamic properties of gold and silver complexes of mixed composition

被引:0
|
作者
N. S. Bekturganov
D. B. Gogol’
M. R. Bisengalieva
A. S. Mukusheva
A. K. Koizhanova
L. L. Osipovskaya
机构
[1] Parasat National Research and Technology Holding,
[2] Institute for the Problems of Complex Development of Mineral Resources,undefined
[3] Earth Science,undefined
[4] Metallurgy,undefined
[5] and Concentration Corporation,undefined
来源
关键词
Potential Energy Surface; Hydration Energy; Gold Complex; Cyanide Complex; Silver Complex;
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学科分类号
摘要
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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页码:337 / 344
页数:7
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