Due to hydrophilic nature of C3S surface, the water molecule in hydrate layer deeply tessellated on the vacancy surface region shows high intensity packing, ordered arrangement, enlargement of the dipolar moment value and orientation preference.
Because CO2 molecules are not bonded in the hydrate lattice and are smaller than the free diameters of most cavities in the hydrate lattice, CO2 molecules in the hydrate tend to diffuse from the hydrate into water; thus, hydrate formation does not stop mass transfer of CO2 from the droplet into water, albeit the rate of mass transfer is reduced dramatically.
The dimer motif is robust enough so that the presence of water molecules in the two hydrate structures does not disrupt its formation.
The probability of breaking the hydrogen bond between the water molecule and the cellulose is much greater at a higher concentration of water molecules in the hydrated shell, so the water molecule after the bond break does not form a new bond with the neighboring free node, but translates from the hydrate layer.
The strong binding effect could greatly disrupt the hydrogen-bond structure between the water molecules in the vicinity of hydrate nucleus surface and attract more water molecules to form hydrogen bond with KHIs rather than build hydrate clathrate on the surface of hydrate nucleus and therefore prevents the hydrate nucleus reaching the critical nuclear size for subsequent spontaneous growth.
Furthermore, the different interaction mechanisms between graphene/GO and cement hydrates have been deeply studied by reactive force field molecular dynamics (MD), revealing that the functional hydroxyl groups in GO provide non-bridging oxygen (NBO) sites that accept hydrogen-bonds of interlayer water molecules in the calcium silicate hydrate (CSH).
The X-ray diffraction was used to identify the binary hydrate structure and Raman spectroscopy was measured to support the phase equilibrium results and to investigate the occupation of CO2 molecules in the cages of the hydrate framework.
In Eq. (9), (Q^) is the correction coefficient due to non-idealities in hydrate phase caused by restricted motion of guest molecules in cages and corresponding distortion of cavities.
