scholarly journals Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries

MRS Advances ◽  
2017 ◽  
Vol 2 (9) ◽  
pp. 519-524 ◽  
Author(s):  
Daiane Damasceno Borges ◽  
Guillaume Maurin ◽  
Douglas S. Galvão
Keyword(s):  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
High Energy ◽  
High Energy Density ◽  
Working Fluid ◽  
Large Variability ◽  
Promising Alternative ◽  
Topological Features ◽  
Thermal Batteries ◽  
Metal Organic

ABSTRACTThermal batteries based on a reversible adsorption/desorption of a working fluid (water, methanol, ammonia) rather than the conventional vapor compression is a promising alternative to exploit waste thermal energy for heat reallocation. In this context, there is an increasing interest to find novel porous solids able to adsorb a high energy density of working fluid under low relative vapor pressure condition combined with an easy ability of regeneration (desorption) at low temperature, which are the major requirements for adsorption driven heat pumps and chillers. The porous crystalline hybrid materials named Metal–Organic Frameworks (MOF) represent a great source of inspiration for sorption based-applications owing to their tunable chemical and topological features associated with a large variability of pore sizes. Recently, we have designed a new MOF named MIL-160 (MIL stands for Materials of Institut Lavoisier), isostructural to CAU-10, built from the assembly of corner sharing aluminum chains octahedra AlO4(OH)2 with the 2,5-furandicarboxylic linker substituting the pristine organic linker, 1,4-benzenedicarboxylate. This ligand replacement strategy proved to enhance both the hydrophilicity of the MOF and its amount of water adsorbed at low p/p0. This designed solid was synthesized and its chemical stability/adsorption performances verified. Here, we have extended this study by incorporating other polar heterocyclic linkers and a comparative computational study of the water adsorption performances of these novel structures has been performed. To that purpose, the cell and geometry optimizations of all hypothetical frameworks were first performed at the density functional theory level and their water adsorption isotherms were further predicted by using force-field based Grand-Canonical Monte Carlo simulations. This study reveals the ease tunable water affinity of MOF for the desired application.

“All-in-One” Hypergolic Metal-Organic Frameworks with High Energy Density and Short Ignition Delay

2022 ◽  
Author(s):  
Zhimin Li ◽  
Yi-Qiang Xu ◽  
Chao Wang ◽  
Guorong Lei ◽  
Rui Zhang ◽  
...  
Keyword(s):  
Energy Density ◽  
Ignition Delay ◽  
High Performance ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
High Energy ◽  
High Energy Density ◽  
Vital Importance ◽  
Metal Organic ◽  
Organic Framework

Constructing high performance hypergolic propellant is of vital importance yet challenging. Herein, by taking metal organic framework(MOF) as a propotypical system, we proposed that co-assembled functional cyanotetrazolylborohydride (CTB) and imidazole...

scholarly journals Synthesis, structure and water sorption in Zr metal-organic frameworks

2014 ◽  
Vol 70 (a1) ◽  
pp. C1240-C1240
Author(s):  
Felipe Gándara ◽  
Hiroyasu Furukawa ◽  
Zhang Yue-Biao ◽  
Juncong Jiang ◽  
Wendy Queen ◽  
...  
Keyword(s):  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
Adsorbed Water ◽  
Neutron Diffraction Study ◽  
Water Molecules ◽  
Remote Areas ◽  
Adsorption Sites ◽  
Thermal Batteries ◽  
Secondary Building Units ◽  
Metal Organic

Metal-organic frameworks (MOFs) based on zirconium secondary building units (SBUs) have proven to have great thermal and chemical stability,[1,2] which make them ideal for their use in different applications. We have prepared a series of six new MOFs made from the Zr6O4(OH)4(-CO2)nsecondary building units (n = 6, 8, 10, or 12) and variously shaped carboxyl organic linkers to make extended porous frameworks, with the aim of studying their performance as water adsorbents. Thus, we have evaluated the water adsorption properties of these new MOFs and other reported porous materials to identify the compounds with the most promising materials for use in applications such as thermal batteries or delivery of drinking water in remote areas. An X-ray single-crystal and a powder neutron diffraction study reveal the position of the water adsorption sites in one of the best performing materials, and highlight the importance of the intermolecular interactions between adsorbed water molecules within the pores.

Charge–discharge studies of all-solid-state Li/LiFePO4 cells with PEO-based composite electrolytes encompassing metal organic frameworks

RSC Advances ◽  
2016 ◽  
Vol 6 (99) ◽  
pp. 97180-97186 ◽  
Author(s):  
Shruti Suriyakumar ◽  
M. Kanagaraj ◽  
N. Angulakshmi ◽  
Murugavel Kathiresan ◽  
Kee Suk Nahm ◽  
...  
Keyword(s):  
Lithium Batteries ◽  
Solid Polymer Electrolyte ◽  
Metal Organic Frameworks ◽  
High Energy ◽  
High Energy Density ◽  
Solid Polymer ◽  
Composite Electrolytes ◽  
Metallic Lithium ◽  
Metal Organic ◽  
Charge Discharge

Lithium batteries with high energy density can be achieved only with a metallic-lithium anode in conjunction with solid polymer electrolyte.

Anionic metal–organic frameworks lead the way to eco-friendly high-energy-density materials

2016 ◽  
Vol 4 (20) ◽  
pp. 7596-7600 ◽  
Author(s):  
Yongan Feng ◽  
Yangang Bi ◽  
Wenyuan Zhao ◽  
Tonglai Zhang
Keyword(s):  
Energy Density ◽  
Hydrogen Bonds ◽  
Metal Organic Frameworks ◽  
High Energy ◽  
High Energy Density ◽  
High Nitrogen ◽  
High Energy Density Materials ◽  
Metal Organic ◽  
Nitrogen Contents ◽  
The Way

Eco-friendly high-energy-density materials with remarkably high nitrogen contents and heats of detonation are achieved based on an anionic MOF strategy. Meanwhile, their stabilities and insensitivities are well improved by hydrogen bonds.

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