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Classical molecular dynamics simulations of mixed CH4–CO2 gas hydrates provide a thorough analysis of the energetics of both pure CH4 and CO2 hydrates and three intermediate compositions along the (CH4)1–x(CO2)x·5.75(H2O) solid solution. The energy is broken into guest–guest, guest–host, and host–host contributions. Radial distribution functions and three-dimensional density distributions provide insight into the changes in guest orientation and interactions with the host ...
These results suggest that the crystal morphology of the CH 4 + CO 2 hydrate may be controlled by the guest composition in the liquid phase, not by the feed gas composition. As the system subcooling increased, the shape of the hydrate crystals changed from polygons to sword-like or dendrites.
Molecular Insights into Guest and Composition Dependence of Mixed Hydrate Nucleation Zhengcai Zhang,1 Guang-Jun Guo,2,3,4 5*Nengyou Wu,1 Peter G. Kusalik 1Laboratory for Marine Mineral Resources, Pilot National Laboratory for Marine Science and Technology, Qingdao 266071, China
Jan 9, 2023 · Dr.M.P.Tangirala Government Nominee Director : Shri. M.Jagannath Managing Director : Shri.Tablesh Pandey Managing Director : Shri. Sat Pal Bhanoo Managing Director
Feb 1, 2023 · Spectral analysis can provide information about the composition and local chemical environment, and reveal the energy level and geometric structure of atoms and the host–guest interaction, mainly including NMR spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, X–ray absorption spectra (XAS), X–ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR), and Raman spectroscopy.
Oct 29, 2020 · Composition dependence of the enrichment factor for (A) C2H6/CH4 and (B) C3H8/CH4 systems. The enrichment factor is defined as the ratio of CH4%/guest% in hydrate nuclei to CH4%/guest% in the ...
Jan 19, 2021 · We demonstrate that the CH 4 –CO 2 guest composition impacts the guest–host interactions in hydrates during static temperature measurements at 10 K, implying that these interactions are ...
