scholarly journals Improving the CH4 adsorption property and the CO2/CH4 separation of IRMOF-3 by functionalizing the organic linker

2016 ◽  
Vol 19 (3) ◽  
pp. 76-84
Author(s):  
Khung Moc Trang
Keyword(s):  
Functional Groups ◽  
Gas Adsorption ◽  
Adsorption Property ◽  
Diverse Range ◽  
Ideal Adsorbed Solution Theory ◽  
Gcmc Simulation ◽  
High Pressure Range ◽  
Ch4 Uptake ◽  
Ch4 Adsorption ◽  
Organic Linker

Grand Canonical Monte Carlo (GCMC) simulation combining with the ideal adsorbed Solution Theory (IAST) are employed to study the effect of functionality on the CH4 adsorption property and CO2/CH4 selectivity of modified irmof-3 structures which include a diverse range of functional groups. The result shows that phenyl groups containing nitrogen (e.g. pyrazine, pyridine) and carboxyl group are able to increase the interaction energy between gas and mof, thereby increasing the gas adsorption capacity. In addition, transition metals can significantly enhance the CO2/CH4 selectivity. The straight-chain alkyl group and aniline groups just slightly improve the material property compared to other functional groups. We also note that materials with more than 50 percent of modification do not show a good performance at high pressure range (35–40 atm) due to its low porosity. We herein show that the functionalization of IRMOF-3 can remarkably improve the CH4 uptake and CO2/CH4 separation; particularly, GCMC simulation is demonstrated as a beneficial tool to aid experimental chemists in designing new promising porous materials.

Three isoreticular MOFs derived from nitrogen-functionalized diisophthalate ligands: exploring the positional effect of nitrogen functional sites on the structural stabilities and selective C2H2/CH4 and CO2/CH4 adsorption properties

2018 ◽  
Vol 5 (6) ◽  
pp. 1423-1431 ◽  
Author(s):  
Dongjie Bai ◽  
Xiaoxia Gao ◽  
Minghui He ◽  
Yao Wang ◽  
Yabing He
Keyword(s):  
Structural Stability ◽  
Gas Adsorption ◽  
Adsorption Property ◽  
Adsorption Properties ◽  
Functional Sites ◽  
Positional Effect ◽  
Ch4 Adsorption

The positional effect of nitrogen functional sites on the structural stability and gas adsorption property was explored in a family of ssa-type MOFs.

Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties

CrystEngComm ◽  
2018 ◽  
Vol 20 (38) ◽  
pp. 5726-5734 ◽  
Author(s):  
Nannan Bai ◽  
Ruicheng Gao ◽  
Haihua Wang ◽  
Yunlong Wu ◽  
Lei Hou ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Nicotinic Acid ◽  
Functional Groups ◽  
Coordination Polymers ◽  
Gas Adsorption ◽  
Selective Adsorption ◽  
Acid Ligand ◽  
Metal Coordination Polymers ◽  
Organic Linker

Five coordination polymers have been synthesized by a new organic linker containing three distinct types of functional groups together with the mixed 2,2′-bipy or 4,4′-bipy co-ligand, revealing various framework structures and selective gas adsorption and magnetic properties.

Fe-Catalyzed Conjunctive Cross-Couplings of Unactivated Alkenes with Grignard Reagents

2020 ◽  
Author(s):  
Lei Liu ◽  
Wes Lee ◽  
Cassandra R. Youshaw ◽  
Mingbin Yuan ◽  
Michael B. Geherty ◽  
...  
Keyword(s):  
Functional Groups ◽  
Cross Coupling ◽  
Alkyl Halides ◽  
Grignard Reagents ◽  
Turnover Frequency ◽  
Diverse Range ◽  
Cascade Cyclization ◽  
Radical Cascade

The first iron-catalyzed three-component cross-coupling of unactivated olefins with alkyl halides and Grignard reagents is reported. The reaction operates under fast turnover frequency and tolerates a diverse range of sp2-hybridized nucleophiles, alkyl halides, and unactivated olefins bearing diverse functional groups to yield the desired 1,2-alkylarylated products with high regiocontrol. Further, we demonstrate that this protocol is amenable for the synthesis of new (hetero)carbocycles including tetrahydrofurans and pyrrolidines via a three-component radical cascade cyclization/arylation that forges three new C-C bonds.

scholarly journals 3D Metal–Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1269
Author(s):  
Vadim A. Dubskikh ◽  
Anna A. Lysova ◽  
Denis G. Samsonenko ◽  
Alexander N. Lavrov ◽  
Konstantin A. Kovalenko ◽  
...  
Keyword(s):  
Room Temperature ◽  
Gas Adsorption ◽  
Magnetic Moments ◽  
Bet Surface Area ◽  
Separation Performance ◽  
Bridging Ligands ◽  
Magnetization Data ◽  
Metal Organic ◽  
Ch4 Adsorption ◽  
Gas Separation Performance

Three new 3D metal-organic porous frameworks based on Co(II) and 2,2′-bithiophen-5,5′-dicarboxylate (btdc2−) [Co3(btdc)3(bpy)2]·4DMF, 1; [Co3(btdc)3(pz)(dmf)2]·4DMF·1.5H2O, 2; [Co3(btdc)3(dmf)4]∙2DMF∙2H2O, 3 (bpy = 2,2′-bipyridyl, pz = pyrazine, dmf = N,N-dimethylformamide) were synthesized and structurally characterized. All compounds share the same trinuclear carboxylate building units {Co3(RCOO)6}, connected either by btdc2– ligands (1, 3) or by both btdc2– and pz bridging ligands (2). The permanent porosity of 1 was confirmed by N2, O2, CO, CO2, CH4 adsorption measurements at various temperatures (77 K, 273 K, 298 K), resulted in BET surface area 667 m2⋅g−1 and promising gas separation performance with selectivity factors up to 35.7 for CO2/N2, 45.4 for CO2/O2, 20.8 for CO2/CO, and 4.8 for CO2/CH4. The molar magnetic susceptibilities χp(T) were measured for 1 and 2 in the temperature range 1.77–330 K at magnetic fields up to 10 kOe. The room-temperature values of the effective magnetic moments for compounds 1 and 2 are μeff (300 K) ≈ 4.93 μB. The obtained results confirm the mainly paramagnetic nature of both compounds with some antiferromagnetic interactions at low-temperatures T < 20 K in 2 between the Co(II) cations separated by short pz linkers. Similar conclusions were also derived from the field-depending magnetization data of 1 and 2.

Enhanced gas adsorption property of hybrid nanopore-structured copper oxide synthesized from the carbon nanotube/copper composites

2010 ◽  
Vol 108 (6) ◽  
pp. 064303 ◽  
Author(s):  
Min Ha Lee ◽  
Kyung Tae Kim ◽  
Thomas Gemming ◽  
Daniel J. Sordelet ◽  
Jürgen Eckert
Keyword(s):  
Carbon Nanotube ◽  
Copper Oxide ◽  
Gas Adsorption ◽  
Adsorption Property

scholarly journals Gas Adsorption Selectivity in Topologically Disordered Metal–Organic Frameworks

2021 ◽  
Author(s):  
Adam Sapnik ◽  
Christopher W. Ashling ◽  
Lauren K. Macreadie ◽  
Seok J. Lee ◽  
Tim Johnson ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Frameworks ◽  
Interaction Strength ◽  
Functional Materials ◽  
Adsorption Selectivity ◽  
Guest Molecules ◽  
Sorption Behaviour ◽  
Ideal Adsorbed Solution Theory ◽  
Industrial Gases ◽  
Metal Organic

<div><p>Disordered metal–organic frameworks are emerging as an attractive class of functional materials, however their applications in gas storage and separation have yet to be fully explored. Here, we investigate gas adsorption in the topologically disordered Fe-BTC framework and its crystalline counterpart, MIL‑100. Despite their similar chemistry and local structure, they exhibit very different sorption behaviour towards a range of industrial gases, noble gases and hydrocarbons. Virial analysis reveals that Fe-BTC has enhanced interaction strength with guest molecules compared to MIL‑100. Most notably, we observe striking discrimination between the adsorption of C<sub>3</sub>H<sub>6</sub> and C<sub>3</sub>H<sub>8</sub> in Fe‑BTC, with over a twofold increase in the amount of C<sub>3</sub>H<sub>6</sub> being adsorbed than C<sub>3</sub>H<sub>8</sub>. Thermodynamic selectivity towards a range of industrially relevant binary mixtures is probed using ideal adsorbed solution theory (IAST). Together, this suggests the disordered material may possess powerful separation capabilities that are rare even amongst crystalline frameworks.</p></div>

Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C2H2/CH4 and CO2/CH4 adsorption properties

2018 ◽  
Vol 47 (27) ◽  
pp. 8983-8991 ◽  
Author(s):  
Minghui He ◽  
Yao Wang ◽  
Xiaoxia Gao ◽  
Saidan Li ◽  
Yabing He
Keyword(s):  
Gas Adsorption ◽  
Adsorption Properties ◽  
Methyl Group ◽  
Positional Effect ◽  
Ch4 Adsorption

The positional effect of the methyl group on structures and gas adsorption properties was explored in a copper-based MOF platform constructed from bent diisophthalate ligands bearing the methyl group at different positions.

scholarly journals CO2/CH4 adsorption property on shale from China for ESGR operation

2019 ◽  
Vol 158 ◽  
pp. 5396-5401 ◽  
Author(s):  
Yuan Chi ◽  
Yi Zhang ◽  
Guanchu Li ◽  
Qian Zhang ◽  
Changzhong Zhao ◽  
...  
Keyword(s):  
Adsorption Property ◽  
Ch4 Adsorption

scholarly journals Effects of -NO2 and -NH2 functional groups in mixed-linker Zr-based MOFs on gas adsorption of CO2 and CH4

2018 ◽  
Vol 28 (2) ◽  
pp. 160-167 ◽  
Author(s):  
Zana Hassan Rada ◽  
Hussein Rasool Abid ◽  
Hongqi Sun ◽  
Jin Shang ◽  
Jiaye Li ◽  
...  
Keyword(s):  
Functional Groups ◽  
Gas Adsorption ◽  
Adsorption Of Co2
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