相关论文: Autoionization of water: does it really occur?
Ion fractional charge states, measured in situ in the heliosphere, depend on the properties of the plasma in the inner corona. As the ions travel outward in the solar wind and the electron density drops, the charge states remain essentially…
A complex of until now unknown phenomena ongoing in water was discovered in laboratory experiments, where it made impossible gravimetric measurements with the necessarily extreme precision. This behaviour of water, which we call…
With the help of a recently developed non-equilibrium approach, we investigate the ionic strength dependence of the Hubbard--Onsager dielectric decrement. We compute the depolarization of water molecules caused by the motion of ions in…
We examine phase separation in aqueous mixtures at fixed amounts of hydrophilic monovalent ions. When water is the minority component, preferential solvation can stabilize water domains enriched with ions. This ion-induced precipitation…
The electronic stress tensor of the hydrogen molecule ion H_2^+ is investigated for the ground state (sigma_g 1s) and the first excited state (sigma_u^* 1s) using their exact wave functions. A map of its largest eigenvalue and corresponding…
We examine the physical processes which are involved in the formation and stability of the anomalous states of water reported recently. The initial step of adding a small amount of ionic compound XY to pure water leads to the formation of…
Real-space modulated Charge Density Waves (CDW) are an ubiquituous feature in many families of superconductors. In particular, how CDW relates to superconductivity is an active and open question that has recently gathered much interest…
Studies of liquid water in its supercooled region have led to many insights into the structure and behavior of water. While bulk water freezes at its homogeneous nucleation temperature of approximately 235 K, for protein hydration water,…
We present a Molecular Dynamics study of the single particle dynamics of supercooled water confined in a silica pore. Two dynamical regimes are found: close to the hydrophilic substrate molecules are below the Mode Coupling crossover…
Atmospheric pressure steam/oxygen plasma is generated by a 88 Hz, 6kV AC power supply. The properties of the produced plasma are investigated by optical emission spectroscopy (OES). The relative intensity, rotational, vibrational,…
We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…
We present quantum dynamical calculations that describe the rotational excitation of H$_2$O due to collisions with H atoms. We used a recent, high accuracy potential energy surface, and solved the collisional dynamics with the…
We study a model for water with a tunable intra-molecular interaction $J_\sigma$, using mean field theory and off-lattice Monte Carlo simulations. For all $J_\sigma\geq 0$, the model displays a temperature of maximum density.For a finite…
Water clusters are known to form through hydrogen bonding. However, this study shows that the formation of very small water clusters significantly deviates from this mechanism and instead involves both hydrogen bonding and electron…
We present results of molecular dynamics simulations of the electron system on the surface of liquid helium. The simulations are done for 1600 electrons with periodic boundary conditions. Electron scattering by capillary waves and phonons…
Accurate modeling of physical and chemical processes in the interstellar medium requires detailed knowledge of how atoms and molecule adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first…
Methods: The microscopic equations of H2-formation and protonation are integrated numerically over time in such a manner that the overall structures evolve self-consistently under benign conditions. Results: The equilibrium H2 formation…
Superconductivity (SC) and charge-density wave (CDW) are two contrasting yet relevant collective electronic states which have received sustained interest for decades. Here we report that, in a layered europium bismuth sulfofluoride,…
The photophysics and photochemistry associated with irradiating UV light in liquid water is central to numerous physical, chemical and biological processes. One of the key events involved in this process is the generation of the hydrated…
Sum frequency generation vibrational spectra of the water molecules at the NaF and KF aqueous solution surfaces showed significantly different spectral features and different concentration dependence. This result is the first direct…