Related papers: Temperature and pH driven association in uranyl aq…
Recent neutron scattering experiments on aqueous salt solutions of amphiphilic t-butanol by Bowron and Finney [Phys. Rev. Lett. {\bf 89}, 215508 (2002); J. Chem. Phys. {\bf 118}, 8357 (2003)] suggest the formation of t-butanol pairs,…
Molecular dynamics simulations are used to test when the particle-in-cell (PIC) method applies to atmospheric pressure plasmas. It is found that PIC applies only when the plasma density and macroparticle weight are sufficiently small…
Deep saline aquifers are one of the best options for large-scale and long-term hydrogen storage. Predicting the diffusion coefficient of hydrogen molecules at the conditions of saline aquifers is critical for modelling hydrogen storage. The…
We derive a Debye-H\"uckel-like model of the electric ion-ion interaction for non-constant dielectric susceptibility, which does not depend on any kind of charging process due to its foundation in the general framework of non-equilibrium…
We have used specific heat and neutron diffraction measurements on single crystals of URu$_{2-x}$Fe$_x$Si$_2$ for Fe concentrations $x$ $\leq$ 0.7 to establish that chemical substitution of Ru with Fe acts as "chemical pressure" $P_{ch}$ as…
Thermodiffusion in aqueous electrolyte solutions exhibits complex dependencies on temperature, concentration, and salt composition, yet its microscopic origins remain incompletely understood. Here, we employ non-equilibrium molecular…
We report recent results of molecular dynamics simulations of frictional athermal particles at constant volume fraction and constant applied shear stress, focusing on a range of control parameters where the system first flows, but then jams…
We calculate the ion distributions around an interface in fluid mixtures of highly polar and less polar fluids (water and oil) for two and three ion species. We take into account the solvation and image interactions between ions and…
We examine five different popular rigid water models (SPC, SPCE, TIP3P, TIP4P and TIP5P) using MD simulations in order to investigate the hydrophobic hydration and interaction of apolar Lennard-Jones solutes as a function of temperature in…
Aqueous solutions of LiCl are probably the most studied electrolyte solutions related to the complexity of liquid water at low temperatures. Despite the large amount of available experimental data hardly any computational studies were…
The well-known formal analogy between time and absolute temperature, existing on the quantum level, is considered as a profound duality relationship requiring some modifications in the conventional quantum dynamics. They consist of tiny…
We study the effects of ions on the reorientation dynamics of liquid water with polarization-resolved femtosecond mid-infared spectroscopy. We probe the anisotropy of the excitation of the O-D stretch vibration of HDO molecules in solutions…
The gas-phase reaction of $\mathrm{O}+\mathrm{H}_3^+$ has two exothermic product channels, $\mathrm{OH}^+ +\mathrm{H}_2$ and $\mathrm{H}_2\mathrm{O}^+ +\mathrm{H}$. In the present study, we analyze experimental data from a merged-beams…
The electrostatic screening properties of ionic fluids are of paramount importance in countless physical processes. Yet, the behavior of ionic conductors out of thermal equilibrium has to date mainly been studied in the context of…
Fire protection mainly takes place through physical or chemical pathways or both of them. The thermal diffusivity is one of the basic thermophysical properties which can connect the chemical structure. It is well-known in the literature…
The hadronic phase in heavy-ion collisions plays a crucial role in shaping the final-state hadron abundances. In this work, we study Au+Au collisions at $\sqrt{s_{\rm NN}}$ = 7.7-200 GeV using the Hadron Resonance Gas model in Partial…
Here we present a theory of ion aggregation and gelation of room temperature ionic liquids (RTILs). Based on it, we investigate the effect of ion aggregation on correlated ion transport - ionic conductivity and transference numbers -…
We examine phase separation in aqueous mixtures due to preferential solvation with a low-density solute (hydrophilic ions or hydrophobic particles). For hydrophilic ions, preferential solvation can stabilize water domains enriched with…
By means of density, dielectric spectroscopy and sound velocity measurements we perform a systematic study on the polyoxyethylene $C_{12}E_{6}$ nonionic surfactant solutions as a function of temperature and concentration. Both density and…
In this work, the cryoscopic decrease effect, as a function of the NaCl concentration, on the carbon dioxide (CO$_2$) hydrate dissociation line conditions has been determined through molecular dynamic simulations. In particular, we have…