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饱和指数SI是反映水环境中矿物溶解/沉淀状态的重要参数,而水溶液中络合物的存在对SI值有很大的影响,因此正确计算络合物的含量,可提高水-岩作用SI模型的计算精度。依据化学热力学的基本理论,作者扩展了活度系数计算方程、优化了阀值的选取、并改进了输出结果。结合某工程实例,与传统算法做了比较,证明该模型的算法具有更好的稳定性和计算精度,结果亦与实际情况更相符。
Saturation index, SI, is an important parameter that reflects the state of dissolution / precipitation of minerals in water environment. However, the existence of complex in aqueous solution has a great influence on SI value. Therefore, correctly calculating the content of complex can increase the effect of water-rock interaction The accuracy of the model. Based on the basic theory of chemical thermodynamics, the author extends the activity coefficient calculation equation, optimizes the selection of the threshold, and improves the output. Combined with an engineering example, compared with the traditional algorithm, it proves that the proposed algorithm has better stability and accuracy, and the result is more in line with the actual situation.