Institut Charles Gerhardt Montpellier, UMR-CNRS 5253, ENSCM, and Univ. Montpellier 2, 34296 Montpellier, France.
Phys Chem Chem Phys. 2011 Dec 7;13(45):20096-9. doi: 10.1039/c1cp22477h. Epub 2011 Oct 13.
We report a molecular simulation study of the mechanical properties of microporous zeolites filled with guest molecules. We show that the adsorption of molecules in the micropores of the material increases its bulk modulus. These results provide a microscopic picture of the deactivation of pressure-induced amorphization by incorporation of molecules.
我们报告了一个关于微孔沸石填充客体分子的力学性能的分子模拟研究。我们表明，分子在材料微孔中的吸附增加了其体弹性模量。这些结果提供了通过掺入分子来抑制压力诱导非晶化的微观图像。
