Vibrations of Protons and Oxygens in Liquid Water Modeled by Our Melted Ice Hexagonal Close Packed Lattice

At the 2013 National Fall Meeting of the Chinese Physical Society, we described our modeling of liquid water by the 1933 Bernal-Fowler Hexagonally Close Packed (HCP) crystalline Ice Model. In the next 6 years we presented our attempted Nonlinear Least Squares Fits (NLSFs) of ~20 models to the experimental data using physics based empirical exponents which gave RMS deviations better than the 10% confidence cited by the experimentalists who obtained the 3 water characterization parameters: the pH or ion product (positive protons and negative prohols) and the two ion's electrical mobilities. We then diagonalized the 36x36 dynamical matrix of the 4H₂O in the HCP Primitive Unit Cell (PUC) to give the atomic vibration spectra of the 8 protons and 4 oxygens in the PUC in order to provide a basis for improved NLSFs to the experimental data. This talk gives the normal modes (vibrational frequency and normalized amplitude) in the 4 straight tunnel directions with constant cross-sectional area through the lattice: 1 along the c-axis and 3 120-degree-apart in the ab-plane. Self-traps are added as local modes for 1-step emission-release of a trapped proton by absorbing-capturing a protonic traveling wave-phonon from the kinetic energy source, and vice versa for multistep proton capture.