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Keywords = methane hydrate–coal mixture

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14 pages, 5827 KiB  
Article
Molecular Simulation of the Effects of Cyclic Organic Compounds on the Stability of Lccbm Hydrates
by Wenbo Lv, Cunbao Deng, Zhixin Jin, Hao Zhang and Yansheng Wang
Molecules 2022, 27(20), 7077; https://doi.org/10.3390/molecules27207077 - 20 Oct 2022
Cited by 3 | Viewed by 1701
Abstract
CH4 can be separated from low-concentration coal bed methane (LCCBM) by using the hydrate-based gas separation (HBGS) method. To study the contribution of different cyclic organic compounds to the separation of CH4 in LCCBM, an LCCBM hydrate model was constructed. Based [...] Read more.
CH4 can be separated from low-concentration coal bed methane (LCCBM) by using the hydrate-based gas separation (HBGS) method. To study the contribution of different cyclic organic compounds to the separation of CH4 in LCCBM, an LCCBM hydrate model was constructed. Based on the Monte Carlo and molecular dynamics theory, we simulated the effect of three cyclic organic compounds—cyclopentane (CP), cyclopentanone (CP-one), and cyclopentanol (CP-ol)—on the stability of the LCCBM hydrate at P = 2 MPa, various temperatures, and discussed the structural stability of the hydrate in depth in terms of final snapshots, radial distribution function, mean square displacement, diffusion coefficient, and potential energy change. The results showed that for the CH4-N2 LCCMM gas mixture, CP showed the best facilitation effect compared to the other two cyclic compounds by maintaining the stability of the LCCBM hydrate well at T = 293 K. The promotion effect of CP-one is between CP and CP-ol, and when the temperature increases to T = 293 K, the oxygen atoms in the water molecule can maintain the essential stability of the hydrate structure, although the orderliness decreases significantly. Moreover, the structure of the hydrate model containing CP-ol is destroyed at T = 293 K, and the eventual escape of CH4 and N2 molecules in solution occurs as bubbles. The research results are important for further exploration of the mechanism of action of cyclic promoter molecules with LCCBM hydrate molecules and promoter preferences. Full article
(This article belongs to the Section Molecular Structure)
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14 pages, 5329 KiB  
Article
Mechanical Performance of Methane Hydrate–Coal Mixture
by Xia Gao, Tongchuan Yang, Kai Yao, Baoyong Zhang, Qiang Wu and Chuanhai Liu
Energies 2018, 11(6), 1562; https://doi.org/10.3390/en11061562 - 14 Jun 2018
Cited by 9 | Viewed by 3087
Abstract
Understanding mechanical behaviors of a methane hydrate–coal mixture are important for its associated application in coal and gas outburst prevention. A triaxial compression apparatus for a specimen of the methane hydrate–coal mixture was developed to measure its strength and deformation properties. Triaxial compression [...] Read more.
Understanding mechanical behaviors of a methane hydrate–coal mixture are important for its associated application in coal and gas outburst prevention. A triaxial compression apparatus for a specimen of the methane hydrate–coal mixture was developed to measure its strength and deformation properties. Triaxial compression tests were performed on coal briquette samples under different confining pressures and methane hydrate saturation. Strain softening behavior of the methane hydrate–coal mixture can be identified for all the specimens under various conditions. The larger the methane hydrate saturation or confining pressure, the larger the peak strength, elastic modulus and peak strain. Mathematical relationships for correlating the peak strength with the methane hydrate saturation or confining pressure were also proposed. Full article
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