Novel 2D micro-porous Metal-Organic Framework for hydrogen storage

被引：22

作者：

Ozturk, Zeynel ^{[1
]}

Kose, Dursun Ali ^{[2
]}

Sahin, Zarife Sibel ^{[3
]}

Ozkan, Goksel ^{[4
]}

Asan, Abdurrahman ^{[1
]}

机构：

[1] Hitit Univ, Dept Chem Engn, TR-19030 Corum, Turkey

[2] Hitit Univ, Dept Chem, TR-19030 Corum, Turkey

[3] Sinop Univ, Dept Energy Syst Engn, TR-57000 Sinop, Turkey

[4] Gazi Univ, Dept Chem Engn, TR-06520 Ankara, Turkey

来源：

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY | 2016年 / 41卷 / 28期

关键词：

Hydrogen storage; 2D MOFs; Molecular simulation; MOLECULAR SIMULATION; SURFACE-AREA; ADSORPTION; SORPTION; SITES; H-2; CU-3(BTC)(2); STABILITY; CRYSTAL; VOLUME;

D O I：

10.1016/j.ijhydene.2016.05.170

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A novel two dimensional Metal-Organic Framework (MOF) structured compound with trimesic acid (TMA), 1,10 Phenantroline (Phen) and Cu(II) building blocks were synthesized and characterized experimentally. Then Grand Canonical Monte Carlo (GCMC) simulation calculations used for determination of hydrogen adsorption capacity and surface characteristics of the compound theoretically. Three different regions were determined for the adsorbent, which were micro, micro/sub-meso spaces inside the adsorbent and the surface regions. It is found that the synthesized compound could uptake approx. 1.3 and 1.2 wt.% hydrogen at 77 K, 100 bars and 1 bar respectively. Thus the adsorbent that is synthesized in this work have strong hydrogen adsorption capability in comparison to the previously reported ones. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

引用

页码：12167 / 12174

页数：8

共 60 条

[41] A 2D metal-organic framework with two different rhombus-shaped cavities: a rare example of a (4,4)-net with alternating metal and organic nodes [J].