Vibrational frequency shifts of H2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies...

In this study, the effect of tetrabutylammonium halide aqueous solutions on gas storage CH4 and CO2 gases were studied with molecular dynamics (MD) simulations. The results show that surface tension molecules adsorbed at interface decreases increases, respectively, in presence TBAX (X: Br, Cl, F) phase compared to pure water similar pressures. Both these factors may facilitate uptake into cages...

A high-pressure investigation of the Xe*H(2)O chemical system was conducted by using diamond-anvil cell techniques combined with in situ Raman spectroscopy, synchrotron x-ray diffraction, and laser heating. Structure I xenon clathrate was observed to be stable up to 1.8 GPa, at which pressure it transforms to a new Xe clathrate phase stable up to 2.5 GPa before breaking down to ice VII plus sol...

Gas hydrates are non-conventional materials offering great potential in capturing, storage, and sequestration of different gases. The weak van der Waals interactions between a gas molecule the pore walls stabilize these non-stoichiometric structures. present article reports an ab initio improved density functional (vdW-DF2) study devoted to associated with H2, CH4, CO2 adsorption sI clathrate h...

Abstract In an offshore system, hydrocarbon fluids are produced at deeper depths in the oceans, and extended pipelines delivering over long distances common. Subsequently, these practices increase tendency of unprocessed water-containing fluid to be exposed lower temperatures higher pressures conditions where hydrate formation is favourable. One solutions resolve this problem by introducing inh...