A data set of equilibrium lines calculations in the precipitation of metal sulfides in the presence of metal cations and thiocomplexes

Database for calculating the concentration at which metal sulfides begin to precipitate, with respect to pH value. Gibbs free energies of formation and equilibrium constants were used to calculate the equilibrium lines at which metal sulfide precipitation begins. The equilibrium of the precipitation of metal sulfides (CuS, FeS, PbS, and ZnS) was studied in the presence of the metal cation (Cu2+, Fe2+, Pb2+, and Zn2+), and of the thiocomplexes (Cu(HS)3-, Fe(HS)2o, Fe(HS)3-, Pb(HS)2o, Pb(HS)3-, Zn(HS)2o, and Zn(HS)3-).In addition, the behavior of the equilibrium lines was studied at two sulfide concentrations: 10 mg/L and 100 mg/L.The database consists of an Excel file with three sheets, the first one with case 1A (equilibrium between metal sulfides and cations), the second one with case 2A (equilibrium between metal sulfides, metal cations and thiocomplexes), and the third one with case 1B (where both metal cations and thiocomplexes are considered and the concentration of metal sulfides is determined). The file has a size of 92 KB.

本数据库用于计算金属硫化物开始沉淀时的浓度（与pH值的对应关系）。研究采用生成吉布斯自由能与平衡常数，计算得到金属硫化物初始沉淀的平衡线。针对同时存在金属阳离子（Cu²+、Fe²+、Pb²+、Zn²+）与硫代配合物（Cu(HS)₃⁻、Fe(HS)₂⁰、Fe(HS)₃⁻、Pb(HS)₂⁰、Pb(HS)₃⁻、Zn(HS)₂⁰、Zn(HS)₃⁻）的体系，研究了CuS、FeS、PbS及ZnS这四种金属硫化物的沉淀平衡。此外，本研究还考察了硫化物浓度分别为10 mg/L与100 mg/L时，平衡线的变化规律。本数据库包含一个大小为92 KB的Excel文件，内含三张工作表：第一张对应案例1A（金属硫化物与阳离子间的平衡），第二张对应案例2A（金属硫化物、金属阳离子与硫代配合物间的平衡），第三张对应案例1B（同时考虑金属阳离子与硫代配合物，需确定金属硫化物浓度的场景）。