Measurement of the electric quadrupole moments of CO2, CO, N2, Cl2 and BF3

Aqueous or solvent based surface modification: The influence of the combination solvent – organic functional group on the surface characteristics of titanium dioxide grafted with organophosphonic acids

“…This parameter is frequently viewed as a measure of the interaction energy between the solid surface and the probing molecules. It is important to note that one N2 molecule possesses an electric quadrupole moment (-4.65 x 10 -40 C m 2 ) [39] and may also act as a borderline Lewis base. If one agrees that a polar contribution to the total adsorption energy is significantly lowered at -196 °C in comparison with the apolar one (due to dispersive forces), and when it is possible to neglect the confinement effects due to the adsorbent porosity (in our case: P25 is non porous), a downward trend in the C value observed for a series of materials exhibiting similar surface chemistry can be used to monitor increasing hydrophobicity of the surface.…”

Modeling ionic liquids and the solubility of gases in them: Recent advances and perspectives

“…In this case, the BF 3 was modeled as a non-associating compound with four molecular parameters: m, the length of the chain, , the Lennard-Jones diameter of each spherical segment forming the molecule, ε, the LJ energy for each segment, and Q, the quadrupole. The quadrupole-quadrupole interactions between BF 3 molecules were taken into account by fixing the quadrupole term according to the experimental value reported elsewhere [180]. Following previous approaches for molecules with non-zero quadrupole, like CO 2 and N 2 , the fraction of the molecule (x p ) associated to the quadrupole was set to 0.25.…”

Aluminophosphates for CO2 Separation

“…[32] The adsorbed amounts of CO 2 and N 2 were in a range of 1.16-2.32 mmol g À1 and 0.039-0.18 mmol g…”