Simulation calculation of solubility of insoluble compound M_mA_a in complex system

Abstract

A simulation calculation model for the solubility of insoluble compound M_mA_a in complex system was established. According to coordination equilibrium principle, relevant dissociation reaction, complexation reaction, self-complexation reaction and protonation reaction during insoluble compound dissolving were considered and then the mass balance equations about solubility calculation were obtained. In the case analysis, the solubility of silver chloride in ammonia system was obtained by simulation calculation, and curved surface charts of thermodynamic equilibrium about the total concentration of silver ions, pH and concentration of ammonia ions were drawn correspondingly. The results show that under the conditions of room temperature and 6 mol/L ammonia concentration, the calculated solubility value of silver chloride (34 g/L) is close to the actual value (31 g/L), demonstrating that this model is suitable for solubility calculation of insoluble compound M_mA_a in the complex system.

Keywords

complex system / insoluble compound / solubility / calculation model

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