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
收藏
页码：12167 / 12174
页数：8
相关论文
共 60 条
  • [1] SYNTHESIS, STRUCTURE, AND SPECTROSCOPIC PROPERTIES OF COPPER(II) COMPOUNDS CONTAINING NITROGEN SULFUR DONOR LIGANDS - THE CRYSTAL AND MOLECULAR-STRUCTURE OF AQUA[1,7-BIS(N-METHYLBENZIMIDAZOL-2'-YL)-2,6-DITHIAHEPTANE]COPPER(II) PERCHLORATE
    ADDISON, AW
    RAO, TN
    REEDIJK, J
    VANRIJN, J
    VERSCHOOR, GC
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1984, (07): : 1349 - 1356
  • [2] Hydrogen adsorption on a single-walled carbon nanotube material:: a comparative study of three different adsorption techniques
    Ansón, A
    Benham, M
    Jagiello, J
    Callejas, MA
    Benito, AM
    Maser, WK
    Züttel, A
    Sudan, P
    Martínez, MT
    [J]. NANOTECHNOLOGY, 2004, 15 (11) : 1503 - 1508
  • [3] Co/Ni mixed-metal sited MOF-74 material as hydrogen adsorbent
    Antonio Villajos, Jose
    Orcajo, Gisela
    Martos, Carmen
    Angel Botas, Juan
    Villacanas, Jesus
    Calleja, Guillermo
    [J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2015, 40 (15) : 5346 - 5352
  • [4] Hydrogen storage in zeolite imidazolate frameworks. A multiscale theoretical investigation
    Assfour, Bassem
    Leoni, Stefano
    Yurchenko, Sergei
    Seifert, Gotthard
    [J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2011, 36 (10) : 6005 - 6013
  • [5] Optimal isosteric heat of adsorption for hydrogen storage and delivery using metal-organic frameworks
    Bae, Youn-Sang
    Snurr, Randall Q.
    [J]. MICROPOROUS AND MESOPOROUS MATERIALS, 2010, 132 (1-2) : 300 - 303
  • [6] THE DETERMINATION OF PORE VOLUME AND AREA DISTRIBUTIONS IN POROUS SUBSTANCES .1. COMPUTATIONS FROM NITROGEN ISOTHERMS
    BARRETT, EP
    JOYNER, LG
    HALENDA, PP
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1951, 73 (01) : 373 - 380
  • [7] Coordination polymers, metal-organic frameworks and the need for terminology guidelines
    Batten, Stuart R.
    Champness, Neil R.
    Chen, Xiao-Ming
    Garcia-Martinez, Javier
    Kitagawa, Susumu
    Ohrstrom, Lars
    O'Keeffe, Michael
    Suh, Myunghyun Paik
    Reedijk, Jan
    [J]. CRYSTENGCOMM, 2012, 14 (09) : 3001 - 3004
  • [8] Blanita G, 2009, MICROPOROUS MESOPORO, V182, P174
  • [9] Blanita G, 2009, J PHYS C SER, V182, P1
  • [10] THERMODYNAMICAL APPROACH TO THE TRAVELING SALESMAN PROBLEM - AN EFFICIENT SIMULATION ALGORITHM
    CERNY, V
    [J]. JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS, 1985, 45 (01) : 41 - 51
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