Organic clathrates formed by hydroquinone (HQ) and gases such as CO and CH are solid supramolecular host-guest compounds in which the gaseous guest molecules are encaged in a host framework of HQ molecules. Not only are these inclusion compounds fascinating scientific curiosities but they can also be used in practical applications such as gas separation. However, the development and future use of clathrate-based processes will largely depend on the effectiveness of the reactive materials used. These materials should enable fast and selective enclathration and have a large gas storage capacity. This article discusses the properties and performance of a new composite material able to form gas clathrates with hydroquinone (HQ) deposited on alumina particles. Apart from the general characterization of the HQ-alumina composite, one of the most remarkable observations is the unexpected formation of a guest-free clathrate structure with long-term stability (>2 years) inside the composite. Interestingly enough, in addition to a slight improvement in the enclathration kinetics of pure CO compared to powdered HQ, preferential capture of CO molecules is observed when the HQ-alumina composite is exposed to an equimolar CO/CH gas mixture. In terms of gas capture selectivity toward CO, the performance of this new composite exceeds that of pure HQ and HQ-silica composites developed in a previous study, opening up new opportunities for the design and use of these novel materials for gas separation.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acsami.0c06187 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Tunability of silicon clathrate film properties by controlled guest-occupation of their cages.
J Chem Phys
April 2023
Laboratoire des Sciences de l'Ingénieur, de l'Informatique et de l'Imagerie (ICube), CNRS and University of Strasbourg, 23 rue du Loess, 67037 Strasbourg, France.
Type I and type II silicon clathrates are guest-host structures made of silicon polyhedral cages large enough to contain atoms that can be either inserted or evacuated with only a slight volume change of the structure. This feature is of interest not only for batteries or storage applications but also for tuning the properties of the silicon clathrate films. The thermal decomposition process can be tuned to obtain Na8Si46 and Na2
Reversible transformations between the non-porous phases of a flexible coordination network enabled by transient porosity.
Nat Chem
April 2023
Department of Chemical Sciences, University of Limerick, Limerick, Republic of Ireland.
Flexible metal-organic materials that exhibit stimulus-responsive switching between closed (non-porous) and open (porous) structures induced by gas molecules are of potential utility in gas storage and separation. Such behaviour is currently limited to a few dozen physisorbents that typically switch through a breathing mechanism requiring structural contortions. Here we show a clathrate (non-porous) coordination network that undergoes gas-induced switching between multiple non-porous phases through transient porosity, which involves the diffusion of guests between discrete voids through intra-network distortions.
View Article and Find Full Text PDFDelving into guest-free and He-filled sI and sII clathrate hydrates: a first-principles computational study.
Phys Chem Chem Phys
June 2022
Institute of Fundamental Physics (IFF-CSIC), CSIC, Serrano 123, 28006 Madrid, Spain.
The dynamics of the formation of a specific clathrate hydrate as well as its thermodynamic transitions depend on the interactions between the trapped molecules and the host water lattice. The molecular-level understanding of the different underlying processes benefits not only the description of the properties of the system, but also allows the development of multiple technological applications such as gas storage, gas separation, energy transport, In this work we investigate the stability of periodic crystalline structures, such as He@sI and He@sII clathrate hydrates by first-principles computations. We consider such host water networks interacting with a guest He atom using selected density functional theory approaches, in order to explore the effects on the encapsulation of a light atom in the sI/sII crystals, by deriving all energy components (guest-water, water-water, guest-guest).
View Article and Find Full Text PDFFour-Step Spin Crossover in a New Cyano-Bridged Iron-Silver Coordination Polymer.
Chemistry
August 2022
Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska St. 64, Kyiv, 01601, Ukraine.
Spin-crossover complexes with multistep transitions attract much attention due to their potential applications as multi-switches and for data storage. A four-step spin crossover is observed in the new iron(II)-based cyanometallic guest-free framework compound Fe(2-ethoxypyrazine) {Ag(CN) } during the transition from the low-spin to the high-spin state. A reverse process occurs in three steps.
View Article and Find Full Text PDFExploring CO @sI Clathrate Hydrates as CO Storage Agents by Computational Density Functional Approaches.
Chemphyschem
February 2021
Institute of Fundamental Physics (IFF-CSIC), CSIC, Serrano 123, 28006, Madrid, Spain.
The formation of specific clathrate hydrates and their transformation at given thermodynamic conditions depends on the interactions between the guest molecule/s and the host water lattice. Understanding their structural stability is essential to control structure-property relations involved in different technological applications. Thus, the energetic aspects relative to CO @sI clathrate hydrate are investigated through the computation of the underlying interactions, dominated by hydrogen bonds and van der Waals forces, from first-principles electronic structure approaches.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!