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利用巨正则系综蒙特卡罗方法模拟高岭土对水分子的吸附特性。通过数值计算和实验分析,表征不同温度、压强及阳离子交换条件下高岭土的吸附机理。研究表明数值分析与实验结果吻合较好。温度和压强对高岭土的吸附性质有着明显影响。铝置换硅使得高岭土的活性有了大幅度提高。此外,不同阳离子的引入,不仅能平衡体系的电价,还能不同程度地改变高岭土的吸附特性。
Adsorption Characteristics of Water Molecules on Kaolin by Using Canonical Ensemble Monte Carlo Method. Through numerical calculation and experimental analysis, the adsorption mechanism of kaolin under different temperature, pressure and cation exchange conditions was characterized. The research shows that the numerical analysis agrees well with the experimental results. Temperature and pressure have a significant effect on the adsorption properties of kaolin. Aluminum replacement silicon makes kaolin activity has been greatly improved. In addition, the introduction of different cations can not only balance the system’s electricity price, but also change the adsorption characteristics of kaolin to different extents.