scholarly journals Modular Type III Porous Liquids based on Porous Organic Cage Microparticles

2021 ◽  
Author(s):  
Aiting Kai ◽  
Benjamin D. Egleston ◽  
Marc A. Little ◽  
Rob Clowes ◽  
Michael E. Briggs ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Chiral Recognition ◽  
High Thermal Stability ◽  
Operating Conditions ◽  
Porous Solids ◽  
Working Capacity ◽  
Type Iii ◽  
Carrier Liquid ◽  
Porous Microparticles ◽  
Metal Organic

The dispersion of particulate porous solids in size-excluded liquids has emerged as a method to create Type III porous liquids, mostly using insoluble microporous materials such as metal-organic frameworks (MOFs) and zeolites. Here, we present the first examples of Type III porous liquids based on porous organic cages (POCs). By exploiting the solution processability of the POCs, racemic and quasiracemic cage microparticles were formed by chiral recognition. Dispersion of these porous microparticles in a range of size-excluded liquids, including oils and ionic liquids, formed stable POC-based Type III porous liquids. The flexible pairing between the solid POC particles and a carrier liquid allows the formation of a range of compositions, pore sizes, and other physicochemical properties to suit different applications and operating conditions. For example, we show that it is possible to produce porous liquids with relatively low viscosities (7-14 mpa∙s) or high thermal stability (325 °C). A 12.5 wt. % Type III porous liquid comprising racemic POC microparticles and an ionic liquid, [BPy][NTf<sub>2</sub>], shows a CO<sub>2</sub> working capacity (104.30 μmol/g<sub>L</sub>) that is significantly higher than the neat ionic liquid (37.27 μmol/g<sub>L</sub>) between 25 °C and 100 °C. This liquid is colloidally stable and can be recycled at least 10 times without loss of CO<sub>2</sub> capacity.

scholarly journals Modular Type III Porous Liquids based on Porous Organic Cage Microparticles

2021 ◽  
Author(s):  
Aiting Kai ◽  
Benjamin D. Egleston ◽  
Marc A. Little ◽  
Rob Clowes ◽  
Michael E. Briggs ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Chiral Recognition ◽  
High Thermal Stability ◽  
Operating Conditions ◽  
Porous Solids ◽  
Working Capacity ◽  
Type Iii ◽  
Carrier Liquid ◽  
Porous Microparticles ◽  
Metal Organic

The dispersion of particulate porous solids in size-excluded liquids has emerged as a method to create Type III porous liquids, mostly using insoluble microporous materials such as metal-organic frameworks (MOFs) and zeolites. Here, we present the first examples of Type III porous liquids based on porous organic cages (POCs). By exploiting the solution processability of the POCs, racemic and quasiracemic cage microparticles were formed by chiral recognition. Dispersion of these porous microparticles in a range of size-excluded liquids, including oils and ionic liquids, formed stable POC-based Type III porous liquids. The flexible pairing between the solid POC particles and a carrier liquid allows the formation of a range of compositions, pore sizes, and other physicochemical properties to suit different applications and operating conditions. For example, we show that it is possible to produce porous liquids with relatively low viscosities (7-14 mpa∙s) or high thermal stability (325 °C). A 12.5 wt. % Type III porous liquid comprising racemic POC microparticles and an ionic liquid, [BPy][NTf<sub>2</sub>], shows a CO<sub>2</sub> working capacity (104.30 μmol/g<sub>L</sub>) that is significantly higher than the neat ionic liquid (37.27 μmol/g<sub>L</sub>) between 25 °C and 100 °C. This liquid is colloidally stable and can be recycled at least 10 times without loss of CO<sub>2</sub> capacity.

scholarly journals Modular Type III Porous Liquids based on Porous Organic Cage Microparticles

2021 ◽  
Author(s):  
Aiting Kai ◽  
Benjamin D. Egleston ◽  
Rob Clowes ◽  
Michael E. Briggs ◽  
Andrew I. Cooper ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Chiral Recognition ◽  
High Thermal Stability ◽  
Operating Conditions ◽  
Porous Solids ◽  
Working Capacity ◽  
Type Iii ◽  
Carrier Liquid ◽  
Porous Microparticles ◽  
Metal Organic

The dispersion of particulate porous solids in size-excluded liquids has emerged as a method to create Type III porous liquids, mostly using insoluble microporous materials such as metal-organic frameworks (MOFs) and zeolites. Here, we present the first examples of Type III porous liquids based on porous organic cages (POCs). By exploiting the solution processability of the POCs, racemic and quasiracemic cage microparticles were formed by chiral recognition. Dispersion of these porous microparticles in a range of size-excluded liquids, including oils and ionic liquids, formed stable POC-based Type III porous liquids. The flexible pairing between the solid POC particles and a carrier liquid allows the formation of a range of compositions, pore sizes, and other physicochemical properties to suit different applications and operating conditions. For example, we show that it is possible to produce porous liquids with relatively low viscosities (7-14 mpa∙s) or high thermal stability (325 °C). A 12.5 wt. % Type III porous liquid comprising racemic POC microparticles and an ionic liquid, [BPy][NTf<sub>2</sub>], shows a CO<sub>2</sub> working capacity (104.30 μmol/g<sub>L</sub>) that is significantly higher than the neat ionic liquid (37.27 μmol/g<sub>L</sub>) between 25 °C and 100 °C. This liquid is colloidally stable and can be recycled at least 10 times without loss of CO<sub>2</sub> capacity.

scholarly journals Separation of branched alkane feeds by a synergistic action of zeolite and metal-organic framework

2021 ◽  
Author(s):  
Pedro Brântuas ◽  
Adriano Henrique ◽  
Mohammad Wahiduzzaman ◽  
Alexander von Wedelstedt ◽  
Tanmoy Maity ◽  
...  
Keyword(s):  
Octane Number ◽  
Metal Organic Framework ◽  
Synergistic Action ◽  
Operating Conditions ◽  
Porous Solids ◽  
Separation Processes ◽  
Research Octane Number ◽  
Efficient Separation ◽  
Zeolite 5A ◽  
Metal Organic

Abstract Zeolites and Metal Organic Frameworks (MOFs) have frequently been considered as “competitors” for the development of new advanced separation processes. The production of high quality gasoline is currently achieved through the energy demanding conventional Total Isomerization Process (TIP) that separates pentane and hexane isomers while not reaching yet the ultimate goal of a Research Octane Number (RON) higher than 92. Herein we demonstrate how an unprecedented synergistic action of two complementary benchmark materials of each family of porous solids, a commercially available zeolite, 5A and the bio-derived Al-dicarboxylate MOF MIL-160(Al), leads to a novel adsorptive process for octane upgrading of gasoline through an efficient separation of pentane and hexane isomer mixtures into fractions of low and high research octane number (RON). This innovative mixed bed adsorbent strategy encompasses a thermodynamically-driven separation of hexane isomers according to the degree of branching by MIL-160(Al) coupled to a steric rejection of pentane and hexane linear isomers by the molecular sieve zeolite 5A. The adsorptive separation ability of this MOF/zeolite duo was further evaluated under industrial operating conditions by sorption breakthrough and continuous cyclic experiments with a mixed bed of shaped adsorbents. Remarkably, at the industrially relevant temperature of 423 K, an ideal sorption hierarchy of low RON over high RON alkanes is achieved, i.e., n-hexane >> n-pentane >> 2-methylpentane > 3-methylpentane >>> 2,3-dimethylbutane > isopentane ≈ 2,2-dimethylbutane, and an exceptional ideal productivity of 1.14 mol.dm-3 is attained for a final high RON isomers product of 92, which corresponds to a substantial leap-forward when compared with existing processes.

scholarly journals In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm

2016 ◽  
Vol 2 (10) ◽  
pp. e1600909 ◽  
Author(s):  
Yongchul G. Chung ◽  
Diego A. Gómez-Gualdrón ◽  
Peng Li ◽  
Karson T. Leperi ◽  
Pravas Deria ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
In Silico ◽  
Power Plants ◽  
Metal Organic Frameworks ◽  
Operating Conditions ◽  
Working Capacity ◽  
Large Space ◽  
High Performing ◽  
Computational Screening ◽  
Metal Organic

Discovery of new adsorbent materials with a high CO2 working capacity could help reduce CO2 emissions from newly commissioned power plants using precombustion carbon capture. High-throughput computational screening efforts can accelerate the discovery of new adsorbents but sometimes require significant computational resources to explore the large space of possible materials. We report the in silico discovery of high-performing adsorbents for precombustion CO2 capture by applying a genetic algorithm to efficiently search a large database of metal-organic frameworks (MOFs) for top candidates. High-performing MOFs identified from the in silico search were synthesized and activated and show a high CO2 working capacity and a high CO2/H2 selectivity. One of the synthesized MOFs shows a higher CO2 working capacity than any MOF reported in the literature under the operating conditions investigated here.

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model

2019 ◽  
Author(s):  
Ryther Anderson ◽  
Achay Biong ◽  
Diego Gómez-Gualdrón
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Molecular Simulation ◽  
Large Scale ◽  
Learning Model ◽  
Operating Conditions ◽  
Small Subset ◽  
Screening Methods ◽  
Large Set ◽  
Metal Organic

<div>Tailoring the structure and chemistry of metal-organic frameworks (MOFs) enables the manipulation of their adsorption properties to suit specific energy and environmental applications. As there are millions of possible MOFs (with tens of thousands already synthesized), molecular simulation, such as grand canonical Monte Carlo (GCMC), has frequently been used to rapidly evaluate the adsorption performance of a large set of MOFs. This allows subsequent experiments to focus only on a small subset of the most promising MOFs. In many instances, however, even molecular simulation becomes prohibitively time consuming, underscoring the need for alternative screening methods, such as machine learning, to precede molecular simulation efforts. In this study, as a proof of concept, we trained a neural network as the first example of a machine learning model capable of predicting full adsorption isotherms of different molecules not included in the training of the model. To achieve this, we trained our neural network only on alchemical species, represented only by their geometry and force field parameters, and used this neural network to predict the loadings of real adsorbates. We focused on predicting room temperature adsorption of small (one- and two-atom) molecules relevant to chemical separations. Namely, argon, krypton, xenon, methane, ethane, and nitrogen. However, we also observed surprisingly promising predictions for more complex molecules, whose properties are outside the range spanned by the alchemical adsorbates. Prediction accuracies suitable for large-scale screening were achieved using simple MOF (e.g. geometric properties and chemical moieties), and adsorbate (e.g. forcefield parameters and geometry) descriptors. Our results illustrate a new philosophy of training that opens the path towards development of machine learning models that can predict the adsorption loading of any new adsorbate at any new operating conditions in any new MOF.</div>

scholarly journals Synthesis of tetrazolo[1,5-a]pyrimidine-6-carbonitriles using HMTA-BAIL@MIL-101(Cr) as a superior heterogeneous catalyst

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mohammad Hossein Abdollahi-Basir ◽  
Boshra Mirhosseini-Eshkevari ◽  
Farzad Zamani ◽  
Mohammad Ali Ghasemzadeh
Keyword(s):  
Ionic Liquid ◽  
Catalytic Activity ◽  
Reaction Time ◽  
Metal Organic Framework ◽  
One Pot ◽  
Short Reaction Time ◽  
Three Component Reaction ◽  
Metal Organic ◽  
Ft Ir ◽  
Novel Catalyst

AbstractA one-pot three component reaction of benzaldehydes, 1H-tetrazole-5-amine, and 3-cyanoacetyl indole in the presence of a new hexamethylenetetramine-based ionic liquid/MIL-101(Cr) metal–organic framework as a recyclable catalyst was explored. This novel catalyst, which was fully characterized by XRD, FE-SEM, EDX, FT-IR, TGA, BET, and TEM exhibited outstanding catalytic activity for the preparation of a range of pharmaceutically important tetrazolo[1,5-a]pyrimidine-6-carbonitriles with good to excellent yields in short reaction time.

Ionic liquid modification of metal-organic framework endows high selectivity for phosphoproteins adsorption

2021 ◽  
Vol 1147 ◽  
pp. 144-154
Author(s):  
Yao-Yao Zhang ◽  
Wang Xu ◽  
Jian-Fang Cao ◽  
Yang Shu ◽  
Jian-Hua Wang
Keyword(s):  
Ionic Liquid ◽  
High Selectivity ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Leaching Chalcopyrite with an Imidazolium-Based Ionic Liquid and Bromide

Metals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 183 ◽  
Author(s):  
Marcelo Rodríguez ◽  
Luís Ayala ◽  
Pedro Robles ◽  
Rossana Sepúlveda ◽  
David Torres ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Ionic Liquid ◽  
Acid Leaching ◽  
High Thermal Stability ◽  
Complexing Agent ◽  
Hydrogen Sulfate ◽  
Operational Conditions ◽  
Bromide Ions ◽  
Novel Applications ◽  
Ionic Liquid Concentration

The unique properties of ionic liquids (ILs) drive the growing number of novel applications in different industries. The main features of ILs are high thermal stability, recyclability, low flash point, and low vapor pressure. This study investigated pure chalcopyrite dissolution in the presence of the ionic liquid 1-butyl-3-methylimidazolium hydrogen sulfate, [BMIm]HSO4, and a bromide-like complexing agent. The proposed system was compared with acid leaching in sulfate media with the addition of chloride and bromide ions. The results demonstrated that the use of ionic liquid and bromide ions improved the chalcopyrite leaching performance. The best operational conditions were at a temperature of 90 °C, with an ionic liquid concentration of 20% and 100 g/L of bromide.

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