Confining CO2 inside sI clathrate‐hydrates: The impact of the CO2–water interaction on quantized dynamics
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27110
Abstract: We report new results on the translational‐rotational (T‐R) states of the CO2 molecule inside the sI clathrate‐hydrate cages. We adopted the multiconfiguration time‐dependent Hartree methodology to solve the nuclear molecular Hamiltonian, and to address issues… read more here.
Keywords: clathrate; interaction; co2 water; inside clathrate ... See more keywords
CO2 capture from flue gas using clathrate formation in the presence of thermodynamic promoters
Sign Up to like & getrecommendations! Published in 2017 at "Energy"
DOI: 10.1016/j.energy.2016.10.122
Abstract: Tetrahydrofuran (THF) as a water-soluble sII clathrate former, cyclopentane (CP) as a water-insoluble sII clathrate former, and tetra n-butyl ammonium chloride (TBAC) as a water-soluble semiclathrate former were used to investigate their thermodynamic promotion effects… read more here.
Keywords: phase; co2 capture; gas; clathrate ... See more keywords
A candidate methane-clathrate destabilisation event on Mars: A model for sub-millennial-scale climatic change on Earth
Sign Up to like & getrecommendations! Published in 2018 at "Gondwana Research"
DOI: 10.1016/j.gr.2018.03.010
Abstract: Abstract Methanogenic explosion of Siberian permafrost-mounds over the last three years questions whether this new phenomenon is the first sign of cascading release under climatic warming. Identical mounds occur in their millions on Mars but… read more here.
Keywords: millennial scale; destabilisation event; clathrate;
Pressure Induced Clathrate Hydrogen-Rich Superconductors KH20 and KH30.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c02686
Abstract: Hydrogen-rich compounds have long been considered as one of the hotspot materials for achieving room-temperature superconductivity. We systematically investigate the high-pressure phase diagram of the K-H system and identified two unreported clathrate extreme superhydrides KH20… read more here.
Keywords: pressure induced; kh20 kh30; hydrogen; pressure ... See more keywords
Formation of Type II Silicon Clathrate with Lithium Guests through Thermal Diffusion.
Sign Up to like & getrecommendations! Published in 2023 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c03703
Abstract: At low guest atom concentrations, Si clathrates can be viewed as semiconductors, with the guest atoms acting as dopants, potentially creating alternatives to diamond Si with exciting optoelectronic and spin properties. Studying Si clathrates with… read more here.
Keywords: diffusion; thermal diffusion; formation type; clathrate ... See more keywords
Magnetic Dioxygen Clathrate Hydrates: A Type of Promising Building Blocks for Icy Crystalline Materials
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c01952
Abstract: Clathrate hydrates (CHs) have recently attracted considerable research interest in fundamental science and practical applications because guest molecules with special electronic properties can be s... read more here.
Keywords: type promising; hydrates type; clathrate; clathrate hydrates ... See more keywords
Effect of HPHT Processing on Structural and Thermoelectric Properties of Low-Cost Type-I Clathrate Ba8Cu6Si40
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c02045
Abstract: Si-based clathrate thermoelectric (TE) materials composed of low-cost, nontoxic, lightweight, and earth-abundant elements are typical representatives of cheaper thermoelectric materials. However, s... read more here.
Keywords: hpht processing; effect hpht; clathrate; low cost ... See more keywords
Novel Hydroquinone-Alumina Composites Stabilizing a Guest-Free Clathrate Structure: Applications in Gas Processing.
Sign Up to like & getrecommendations! Published in 2020 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.0c06187
Abstract: Organic clathrates formed by hydroquinone (HQ) and gases such as CO2 and CH4, are solid supramolecular host-guest compounds, in which the gaseous guest molecules are encaged in a host framework of HQ molecules. Not only… read more here.
Keywords: guest free; applications gas; clathrate; gas ... See more keywords
How Do Surfactants Control the Agglomeration of Clathrate Hydrates?
Sign Up to like & getrecommendations! Published in 2019 at "ACS Central Science"
DOI: 10.1021/acscentsci.8b00755
Abstract: Clathrate hydrates can spontaneously form under typical conditions found in oil and gas pipelines. The agglomeration of clathrates into large solid masses plugs the pipelines, posing adverse safety, economic, and environmental threats. Surfactants are customarily… read more here.
Keywords: agglomeration; contact angle; water; clathrate ... See more keywords
Simulation of Capture and Release Processes of Hydrogen by β-Hydroquinone Clathrate
Sign Up to like & getrecommendations! Published in 2018 at "ACS Omega"
DOI: 10.1021/acsomega.8b01798
Abstract: Using molecular simulation techniques, we investigate the storage capabilities of H2 gas by the clathrate of hydroquinone (HQ). Quantum mechanics calculations have been used to assess structure and interactions at the atomic scale and molecular… read more here.
Keywords: hydroquinone; capture release; clathrate; simulation ... See more keywords
A Borosilicide with Clathrate VIII Structure
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c04745
Abstract: The high-pressure phase Na8BxSi46–x (3 < x < 5) is the first representative of a borosilicide crystallizing in the rarely occurring clathrate VIII type structure. Crystals with composition Na8B4Si42 (space group I43̅m; a = 9.7187(2)… read more here.
Keywords: clathrate viii; structure; borosilicide; viii type ... See more keywords