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Simulation calculation of solubility of insoluble compound M_mA_a in complex system

Simulation calculation of solubility of insoluble compound M_mA_a in complex system
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摘要 A simulation calculation model for the solubility of insoluble compound MmAa 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 MmAa in the complex system. A simulation calculation model for the solubility of insoluble compound MmAa 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 MmAa in the complex system.
出处 《Journal of Central South University》 SCIE EI CAS 2012年第4期892-896,共5页 中南大学学报(英文版)
基金 Project(2007CB613604) supported by the National Basic Research Program of China
关键词 溶解度计算 复杂系统 化合物 仿真计算 计算模型 络合反应 平衡方程 模拟计算 complex system insoluble compound solubility calculation model
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