随机系统和溶液之间的伪平衡:玻璃在水中溶解的蒙特卡罗研究

Sitangsu Bikas Santra, Bernard Sapoval, Philippe Barboux, François Devreux
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引用次数: 7

摘要

采用蒙特卡罗模拟方法研究了具有强溶解度的随机二元玻璃的二维溶解。可溶物质为Na2O或B2O3。另一种SiO2具有局部环境依赖性的溶解度。对于有限体积的液体,发现迅速溶解,直到达到表观平衡。然而,随着多孔表面的重构,稳态孔隙化以较低但恒定的速度继续进行。模拟再现了最近在实验中观察到的在表观平衡下溶解的重新开始。动态渗流使我们能够解释溶解速率对浓度的强烈依赖性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Pseudo-equilibrium between a random system and a solution: a Monte-Carlo study of glass dissolution in water

The dissolution of a random binary glass with strongly different solubilities is studied by Monte-Carlo simulations in two dimensions. The soluble species represents Na2O or B2O3. The other species, SiO2, has a local environment-dependent solubility. For a finite volume of liquid a rapid dissolution is found until an apparent equilibrium is reached. Nevertheless, a steady state porosification continues at a lower but constant speed with restructuration of the porous surface. The simulation reproduces the restarting of dissolution at apparent equilibrium, recently observed experimentally. Dynamical percolation permits us to explain the strong dependence of the dissolution rate on the concentration.

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