氩在Cu3(苯-1,3,5-三羧酸)2(H2O)3金属有机框架上的吸附

Argon adsorption on Cu3(benzene-1,3,5-tricarboxylate)2(H2O)3 metal-organic framework.

作者信息

Krungleviciute V, Lask K, Heroux L, Migone A D, Lee J-Y, Li J, Skoulidas A

机构信息

Department of Physics, Southern Illinois University, Neckers 483 A, Carbondale, IL 62901, USA.

出版信息

Langmuir. 2007 Mar 13;23(6):3106-9. doi: 10.1021/la061871a. Epub 2007 Feb 6.

DOI:10.1021/la061871a

PMID:17279780

Abstract

Using volumetric adsorption techniques, we have measured the adsorption of argon on Cu3(BTC)2(H2O)3, (BTC = benzene-1,3,5-tricarboxylate), a microporous metal-organic framework structure, at temperatures between 66 and 143 K. In addition to the experiments, we have used Grand Canonical Monte Carlo simulations to calculate the adsorption isotherm of argon at 87 K. Our experimental and theoretical results are compared to those of previous studies. The experiments were performed using a high density of points, allowing us to obtain, in detail, the isosteric heat's coverage dependence. Our values from the simulations are in reasonable agreement with those obtained in the experiments.

摘要

我们使用体积吸附技术，在66至143K的温度范围内，测量了氩气在微孔金属有机骨架结构Cu3(BTC)2(H2O)3（BTC = 苯-1,3,5-三甲酸酯）上的吸附情况。除了实验之外，我们还使用巨正则蒙特卡罗模拟来计算87K时氩气的吸附等温线。我们将实验和理论结果与之前的研究结果进行了比较。实验采用了高密度的测量点，使我们能够详细获得等量吸附热随覆盖度的变化情况。模拟得到的值与实验值合理吻合。