β Scribed by B.P. Feuston; S.H. Garofalini
No coin nor oath required. For personal study only.
An effective potential containing two-and three-body terms for silica-water interactions is proposed, with the oxygen-oxygen interaction treated identically in both water and vitreous silica. The structure of water, HZ0 dimers, Hz0 trimers and H,SiO,-H,O as obtained by molecular dynamics simulations are in fair agreement with X-ray diffraction on water and ab mitio calculations on molecules. Simulations of monomeric silicic acid sob provide a microscopic description of water producing oligomeriration including details of the intermediate activation complexes.
π SIMILAR VOLUMES
In this work, ultra small-angle x-ray scattering (USAXS) of agglomerate and non-agglomerate flame-made silica nanoparticles is investigated systematically for ubiquitous characterization of particle size and degree of agglomeration. Primary particle diameters determined from the USAXS particle volum