地球化学软件PHREEQC在湿法冶金计算热力学中的应用

以加氢脱硫废催化剂中复合氧化物NiMoO4的酸碱水溶液稳定性为例, 采用PHREEQC软件进行了水溶液热力学模拟计算, 介绍了PHREEQC软件的计算过程、计算原理、计算步骤及结果分析, 并与传统手工算法进行了简单对比。相对于传统手工数学计算方法, PHREEQC具有计算效率高、简单灵活、可解决极复杂多元多相热力学问题等优点, 对湿法冶金热力学分析有很大帮助, 值得在湿法冶金热力学研究方面推广应用。

Application of Geochemical Software PHREEQC in Computation of Thermodynamics in Hydrometallurgy

With a complex oxide(NiMoO4) in spent catalyst as an example, the software of PHREEQC was adopted to simulate a computation of thermodynamics of aquatic solution. The process, principle and operation steps of computation with PHREEQC, as wells as results analysis were presented in details, which was also compared with traditional calculation methods. It is shown that PHREEQC software is efficient in computation, simple and flexible in operation, which can be used to calculate some extremely complex thermodynamics with multi-component and multi-phase. It is of great help to the thermodynamics analysis in hydrometallurgy and worthy of wide application.