Distortion of Host Lattice in Clathrate Hydrate as a Function of Guest Molecule and Temperature

Tomoko Ikeda; Shinji Mae; Osamu Yamamuro; Takasuke Matsuo; Susumu Ikeda; Richard M. Ibberson

doi:10.1021/jp001313j

Quasi-elastic neutron scattering investigation of the guest molecule dynamics in the bromomethane clathrate hydrate

Fluid Phase Equilibria ◽

10.1016/j.fluid.2015.12.002 ◽

2016 ◽

Vol 413 ◽

pp. 116-122 ◽

Cited By ~ 4

Author(s):

Eric Pefoute ◽

Michael Prager ◽

Margarita Russina ◽

Arnaud Desmedt

Keyword(s):

Neutron Scattering ◽

Guest Molecule ◽

Clathrate Hydrate ◽

Elastic Neutron ◽

Elastic Neutron Scattering ◽

Molecule Dynamics

Download Full-text

Effects of the CO2 Guest Molecule on the sI Clathrate Hydrate Structure

Materials ◽

10.3390/ma9090777 ◽

2016 ◽

Vol 9 (9) ◽

pp. 777 ◽

Cited By ~ 12

Author(s):

Fernando Izquierdo-Ruiz ◽

Alberto Otero-de-la-Roza ◽

Julia Contreras-García ◽

Olga Prieto-Ballesteros ◽

Jose Recio

Keyword(s):

Guest Molecule ◽

Clathrate Hydrate

Download Full-text

Ordering of guest-molecule dipoles in the structure I clathrate hydrate of trimethylene oxides

Chemical Physics ◽

10.1016/0301-0104(74)80064-9 ◽

1974 ◽

Vol 3 (2) ◽

pp. 239-247 ◽

Cited By ~ 25

Author(s):

S.R. Gough ◽

S.K. Garg ◽

D.W. Davidson

Keyword(s):

Guest Molecule ◽

Clathrate Hydrate

Download Full-text

Structural Transition of Trimethylamine Hydrate by Methane or Hydrogen Inclusion

10.5194/egusphere-egu2020-3806 ◽

2020 ◽

Author(s):

Minjun Cha

Keyword(s):

Structural Transition ◽

Guest Molecule ◽

Clathrate Hydrate ◽

Hydrogen Gas ◽

Time Dependent ◽

X Ray Diffraction ◽

Guest Molecules ◽

X Ray ◽

Inclusion Process ◽

Diffraction Patterns

Recently, several alkylamine hydrates have been studied in an effort to reveal the structural transitions from semi- to &#8216;canonical&#8217; clathrate hydrate in the presence of secondary guest molecules. Trimethylamine (TMA) is known to form the semi-clathrate hydrate, and it has been reported that the structural transition of the TMA semi-clathrate hydrate may not occur in the presence of hydrogen gas as a secondary guest molecule. This paper reports the structural transition of trimethylamine(TMA) hydrate induced by the type of guest molecules. Powder X-ray diffraction patterns of (TMA + H2) hydrates show the formation of hexagoanl P6/mmm hydrate, but those of (TMA + CH4) hydrates indicate the formation of cubic Fd3m hydrate. Without gaseous guest molecule, the crystal structure of pure TMA hydrate is identified as hexagonal P6/mmm. Therefore, inclusion of gaseous methane in TMA hydrate can induce the structural transition from hexagonal to cubic hydrate or the formation of metastable cubic hydrate. To clearly reveal this possibility, we also check the time-dependent structural patterns of binary (TMA + CH4) hydrates from 1 to 14 days, and the results show that the structural transition of TMA hydrate from hexagonal P6/mmm to cubic Fd3m hydrate structure can occur during the methane inclusion process.

Download Full-text

Elasticity and Stability of Clathrate Hydrate: Role of Guest Molecule Motions

Scientific Reports ◽

10.1038/s41598-017-01369-0 ◽

2017 ◽

Vol 7 (1) ◽

Cited By ~ 13

Author(s):

Jihui Jia ◽

Yunfeng Liang ◽

Takeshi Tsuji ◽

Sumihiko Murata ◽

Toshifumi Matsuoka

Keyword(s):

Guest Molecule ◽

Clathrate Hydrate

Download Full-text

Vibrational spectroscopic and quantum theoretical study of host-guest interactions in clathrates: I. Hofmann type clathrates

Journal of the Serbian Chemical Society ◽

10.2298/jsc0006417m ◽

2000 ◽

Vol 65 (5-6) ◽

pp. 417-430 ◽

Cited By ~ 1

Author(s):

Biljana Minceva-Sukarova ◽

Liljana Andreeva ◽

Ljupco Pejov ◽

Vladimir Petrusevski

Keyword(s):

Guest Molecule ◽

Theoretical Study ◽

Far Infrared ◽

Spectroscopic Properties ◽

Host Lattice ◽

Hydrogen Atoms ◽

Crystalline Field ◽

Theoretical Approaches ◽

Guest Species ◽

Insight Into

Hofmann type clatharates are host-guest compounds with the general formula M(NH3)2M'(CN)4.2G, in which M(NH3)2M'(CN)4 is the host lattice and G is benzene, the guest molecule. In previous studies, host-guest interactions have been investigated by analyzing the RT and LNT vibrational (infrared, far infrared and Raman) spectra of these clathrates. All the observed changes in the vibrational spectra of these clathrates are referred to a host-guest interaction originating from weak hydrogen bonding between the ammonia hydrogen atoms from the host lattice and the p electron cloud of the guest (benzene) molecules. In order to obtain an insight into the relative importance of the local crystalline field vs. the anharmonicity effects on the spectroscopic properties of the guest species upon enclathration, as well as to explain the observed band shifts and splittings, several quantum theoretical approaches are proposed.

Download Full-text

Influence of Nitrogen on Structure, Guest Distribution and Hydrate Formation Conditions of the Mixed CO2–CH4 and CO2–CH4–N2 Gas Hydrates

10.20944/preprints201811.0401.v1 ◽

2018 ◽

Author(s):

Vladimir R. Belosludov ◽

Yulia Yu. Bozhko ◽

Oleg S. Subbotin ◽

Rodion V. Belosludov ◽

Ravil К. Zhdanov ◽

...

Keyword(s):

Gas Phase ◽

Gas Hydrates ◽

Gas Hydrate ◽

Hydrate Formation ◽

Lattice Relaxation ◽

Host Lattice ◽

Clathrate Hydrate ◽

Formation Pressure ◽

Co2 Gas ◽

Formation Conditions

In this contribution, a method based on a solid solution theory of clathrate hydrate for multiple cage occupancy, host lattice relaxation and guest-guest interactions has been presented to estimate hydrate formation conditions of binary and ternary gas mixtures. We have performed molecular modeling of structure, guest distribution, and hydrate formation conditions for the CO2 + CH4, and CO2 + CH4 + N2 gas hydrates. In all considered systems with and without N2, at high and medium content of CO2 in the gas phase we have found that CO2 is more favorable to occupy clathrate hydrate cavities than CH4 or N2. Addition of N2 to the gas phase increases ratio concentration CO2 in compressing with concentration CH4 in clathrate hydrates and makes gas replacement more effective. The mole fractions of CO2 in CO2 + CH4 + N2 gas hydrate rapidly increases with the growth of its content in the gas phase. And the formation pressure of CO2 + CH4 + N2 gas hydrate rises in comparison with the formation pressure of CO2 + CH4 gas hydrate. Obtained results agree with the known experimental data for simple CH4, CO2 gas hydrates and mixed CO2 + CH4 gas hydrate.

Download Full-text

Managing Hydrogen Bonding in the Clathrate Hydrate of the 1-Pentanol Guest Molecule

CrystEngComm ◽

10.1039/d1ce00583a ◽

2021 ◽

Author(s):

Byeonggwan Lee ◽

Jeongtak Kim ◽

Kyuchul Shin ◽

Ki Hun Park ◽

Minjun Cha ◽

...

Keyword(s):

Hydrogen Bonding ◽

Guest Molecule ◽

Clathrate Hydrate ◽

Guest Molecules

It remains a difficult task to predict the hydrate structure and conformation of potential guest molecules in one of the three canonical hydrate lattices. 1-pentanol is characteristic of molecules that...

Download Full-text

Influence of N2 on Formation Conditions and Guest Distribution of Mixed CO2 + CH4 Gas Hydrates

Molecules ◽

10.3390/molecules23123336 ◽

2018 ◽

Vol 23 (12) ◽

pp. 3336 ◽

Cited By ~ 19

Author(s):

Vladimir Belosludov ◽

Yulia Bozhko ◽

Oleg Subbotin ◽

Rodion Belosludov ◽

Ravil Zhdanov ◽

...

Keyword(s):

Gas Phase ◽

Gas Hydrates ◽

Gas Hydrate ◽

Hydrate Formation ◽

Lattice Relaxation ◽

Host Lattice ◽

Clathrate Hydrate ◽

Formation Pressure ◽

Co2 Gas ◽

Formation Conditions

In this contribution, a method based on a solid solution theory of clathrate hydrate for multiple cage occupancy, host lattice relaxation, and guest-guest interactions is presented to estimate hydrate formation conditions of binary and ternary gas mixtures. We performed molecular modeling of the structure, guest distribution, and hydrate formation conditions for the CO2 + CH4 and CO2 + CH4 + N2 gas hydrates. In all considered systems with and without N2, at high and medium content of CO2 in the gas phase, we found that CO2 was more favorable in occupying clathrate hydrate cavities than CH4 or N2. The addition of N2 to the gas phase increased the ratio concentration of CO2 in comparison with the concentration of CH4 in clathrate hydrates and made gas replacement more effective. The mole fraction of CO2 in the CO2 + CH4 + N2 gas hydrate rapidly increased with the growth of its content in the gas phase, and the formation pressure of the CO2 + CH4 + N2 gas hydrate rose in comparison to the formation pressure of the CO2 + CH4 gas hydrate. The obtained results agreed with the known experimental data for simple CH4 and CO2 gas hydrates and the mixed CO2 + CH4 gas hydrate.

Download Full-text