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   Articles with "clathrate hydrates" as a keyword



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Single-site Langmuir-type adsorption in structure-I clathrate hydrates: A molecular simulation study using a general self-consistent force field

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recommendations! Published in 2019 at "Fluid Phase Equilibria"

DOI: 10.1016/j.fluid.2019.02.016

Abstract: Abstract This work reports on an investigation into the utility of a single-site approach to adsorption in structure-I clathrate hydrates through the consideration of a set of known clathrate hydrate-forming gases: carbon monoxide, methane, ethane,… read more here.

Keywords: structure clathrate; clathrate hydrates; structure; single site ... See more keywords
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Monte Carlo simulation studies of clathrate hydrates: A review

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recommendations! Published in 2017 at "Journal of Supercritical Fluids"

DOI: 10.1016/j.supflu.2017.12.017

Abstract: Abstract Clathrate hydrates are encountered in a number of important industrial applications. Therefore, their structural, transport, thermodynamic and kinetic properties are essential for the design of appropriate industrial operations. The calculation of such properties through… read more here.

Keywords: simulation studies; studies clathrate; monte carlo; carlo simulation ... See more keywords
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Reduction Clathrate Hydrates Growth Rates and Adhesion Forces on Surfaces of Inorganic or Polymer Coatings

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recommendations! Published in 2020 at "Energy & Fuels"

DOI: 10.1021/acs.energyfuels.0c01904

Abstract: Hydrate plugging is one of the major risks for oil and gas transportation in pipelines. To mitigate the adhesion between hydrate particles and pipeline walls, hexagonal boron nitride (HBN), polydim... read more here.

Keywords: rates adhesion; adhesion forces; growth rates; hydrates growth ... See more keywords
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Magnetic Dioxygen Clathrate Hydrates: A Type of Promising Building Blocks for Icy Crystalline Materials

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recommendations! 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
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Distortion of the Large Cages Encapsulating Cyclic Molecules and Empty Small Cages of Structure II Clathrate Hydrates

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recommendations! Published in 2018 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.8b05314

Abstract: Understandings of structure-based properties of porous materials, such as gas storage and gas separation performance, are important. Here, the crystal structures of the canonical structure II (sII) clathrate hydrates encapsulating cyclic molecules (tetrahydrofuran, cyclopentane, furan,… read more here.

Keywords: empty small; clathrate hydrates; structure; encapsulating cyclic ... See more keywords
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How Do Surfactants Control the Agglomeration of Clathrate Hydrates?

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recommendations! 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

AdaBoost Metalearning Methodology for Modeling the Incipient Dissociation Conditions of Clathrate Hydrates

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recommendations! Published in 2021 at "ACS Omega"

DOI: 10.1021/acsomega.1c03214

Abstract: This paper proposes the AdaBoost metalearning methodology to combine the outcomes of tree-based models of classification and the regression tree (CART) algorithm for estimating the equilibrium dissociation temperature of clathrate hydrates. In addition to the… read more here.

Keywords: methodology; dissociation; incipient dissociation; clathrate hydrates ... See more keywords
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The anomalous halogen bonding interactions between chlorine and bromine with water in clathrate hydrates.

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recommendations! Published in 2017 at "Faraday discussions"

DOI: 10.1039/c7fd00064b

Abstract: Clathrate hydrate phases of Cl2 and Br2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these… read more here.

Keywords: water; halogen bonding; clathrate hydrates; halogen ... See more keywords
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Thermal decomposition and diffusion of methane in clathrate hydrates from quantum mechanics simulations

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recommendations! Published in 2020 at "RSC Advances"

DOI: 10.1039/d0ra02393k

Abstract: Clathrate hydrates are ice-like crystalline substances in which small gas molecules are trapped inside the polyhedral cavities of water molecules. They are of great importance in both scientific research and the petroleum industry because of… read more here.

Keywords: diffusion; methane; clathrate hydrates; quantum mechanics ... See more keywords
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Comment on "Cage occupancy of methane clathrate hydrates in the ternary H2O-NH3-CH4 system" by C. Petuya, M. Choukroun, T. H. Vu, A. Desmedt, A. G. Davies, and C. Sotin, Chem. Commun., 2020, 56, 12391.

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recommendations! Published in 2022 at "Chemical communications"

DOI: 10.1039/d1cc06526b

Abstract: Alternative interpretations of the experimental results given in the Communication of Petuya et al.1 are presented. There is evidence that under certain conditions, ammonia can be incorporated into clathrate hydrate cages. read more here.

Keywords: clathrate; methane clathrate; clathrate hydrates; occupancy methane ... See more keywords
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Controlling hydrogen release from remaining-intact Clathrate hydrates by electromagnetic fields: molecular engineering via microsecond non-equilibrium molecular dynamics

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recommendations! Published in 2022 at "RSC Advances"

DOI: 10.1039/d1ra07471g

Abstract: In view of the recently-predicted hydrogen release from type-II (sII) clathrate hydrates in the general 140–180 K temperature range [J. Phys. Chem. C, 125, 8430–8439 (2021)], we have investigated in the present study, by means… read more here.

Keywords: hydrogen; clathrate hydrates; non equilibrium; hydrogen release ... See more keywords