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A novel numerical method for simulations of leaching of cementitious materials in ammonium nitrate solution

机译：一种新的硝酸铵溶液浸出浸出浸出的数值方法

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摘要

A novel numerical method is developed to model accelerated leaching of cement pastes in the ammonium nitrate solution by coupling chemical kinetics with chemical thermodynamics. Arrhenius equation is applied to predict the rate constant of the fast dissolution of portlandite in the ammonium nitrate, and the second-order rate law is modified by considering the saturation ratio of this reaction. A simplified Poisson-Nernst-Planck (PNP) model is employed to simulate the ionic diffusion and the Sequential Non-Iterative Approach (SNIA) is adopted to split the simultaneous process of diffusion and chemical reaction. The proposed method is applied to model a variety of cement pastes. The estimations of leached depths from the proposed method comply with the well-known square root-time relationship and they also agree well with the reported experiments.
机译：开发了一种新的数控方法，通过用化学热力学偶联化学动力学来模拟硝酸铵溶液中水泥糊的水泥浆料的加速浸出。 Arrhenius方程被应用于预测硝酸铵中波特兰石的快速溶解的速度常数，并且通过考虑该反应的饱和比来修饰二阶率法。采用简化的泊松 - 内部普斯特兰克（PNP）模型来模拟离子扩散，并采用顺序非迭代方法（SNIA）分离扩散和化学反应的同时过程。该方法适用于模拟各种水泥浆料。从所提出的方法估计浸出深度符合众所周知的平方根关系，并且对报告的实验也很好。

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