Mathematical models for chemically reacting systems have high degrees of freedom (very large) and are computationally expensive to analyse. In this discussion, we present and analyse a model reduction method that is based on stoichiometry and mass balances. This method can significantly reduce the high degrees of freedom of such systems. Numerical simulations are undertaken to validate and establish efficiency of the method. A practical example of acid mine drainage is used as a test case to demonstrate the efficacy of the procedure. Analytical results show that the stoichiometrically-reduced model is consistent with the original large model, and numerical simulations demonstrate that the method can accelerate convergence of the numerical schemes in some cases.

用于化学反应系统的数学模型具有很高的自由度（非常大），并且分析计算量很大。在此讨论中，我们介绍并分析一种基于化学计量和质量平衡的模型简化方法。这种方法可以大大降低此类系统的高度自由度。进行了数值模拟，以验证并确定该方法的效率。以酸性矿山排水的实际示例作为测试案例，以证明该程序的有效性。分析结果表明，化学计量比简化的模型与原始的大型模型是一致的，并且数值模拟表明，该方法在某些情况下可以加快数值方案的收敛速度。