Characterization of MCM-41 using molecular simulation: Heterogeneity effects

被引：248

作者：

Maddox, MW

Olivier, JP

Gubbins, KE

机构：

[1] CORNELL UNIV, SCH CHEM ENGN, ITHACA, NY 14853 USA

[2] MICROMERITICS INSTRUMENT CORP, NORCROSS, GA 30093 USA

来源：

LANGMUIR | 1997年 / 13卷 / 06期

关键词：

D O I：

10.1021/la961068o

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present new experimental data and molecular simulation results for the adsorption of nitrogen in MCM-41. We show that models in which the solid-fluid interaction potential is homogeneous cannot reproduce the form of the adsorption isotherm, particularly at low pressures. A new heterogeneous interaction model is shown to give very good agreement with the data. Simulations based on this new model for pores of various diameters are used to obtain a relation between capillary condensation pressure and pore diameter. This relation can be used to estimate pore size distributions from experimental adsorption data.

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收藏

页码：1737 / 1745

页数：9

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