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Apr 8, 2024 · As machine learning is increasingly autonomously recursive in nature, artificial intelligence is a historical rather than future-making act of creation ( Hughes-Warrington, 2022 ). Instead of predicting and generating “new” futures in language, art and media, it calculates and renders a most likely past. This rupture point thus necessitates ...
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 ...
Aug 12, 2021 · The composition of a self-assembly system has long been an essential factor that governs the resulting supramolecular structures. Nevertheless, due to the rigorous demands of structural compatibility in host–guest chemistry, the molar ratio of host–guest mixtures has not been applied as a significant factor in modulating the supramolecular structures of host–guest complexes. In this ...
Jul 1, 2016 · Since our predicted x dependences of the lattice constants on guest composition x in Figure 1 are for all x values (0 < x < 24) and therefore are for the alkali atom guests inside both the large, 28 atom cages and the small, 20 atom cages, it is interesting to briefly consider how the size of the clathrate cage in comparison with the guest atom ...
Jul 20, 2007 · This study presents the influences of additional guest molecules such as C2H6, C3H8, and CO2 on methane hydrates regarding their thermal behavior. For this purpose, the onset temperatures of decomposition as well as the enthalpies of dissociation were determined for synthesized multicomponent gas hydrates in the range of 173−290 K at atmospheric pressure using a Calvet heat-flow calorimeter ...
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 ...
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 ...
