Evidence of a liquid-liquid phase transition in hot dense hydrogen.

Local structure in dense hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo

Local structure in dense hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo Carlo Pierleoni*,1,2 Markus Holzmann,3,4 and David M. Ceperley5 Department of Physical and Chemical Sciences, University of L’Aquila, Italy Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud, UVSQ, Université Paris-Saclay, 91191 Gif-sur-Yvette, France LPMMC, UMR 5493 of CNRS, Université ...

Comparison of the Performance of Different Thermodynamic Models for Liquid Phase in Predicting the Phase Behavior of Hydrogen Hydrates with THF

Investigation into the temperature dependence of isotropic- nematic phase transition of Gay- Berne liquid crystals

Density functional approach was used to study the isotropic- nematic (I-N) transition and calculate the values of freezing parameters of the Gay- Berne liquid crystal model. New direct and pair correlation functions of a molecular fluid with Gay- Berne pair potential were used. These new functions were used in density functional theory as input to calculate the isotropic- nematic transition den...

Ag/ZnO Nanocomposites: Preparation, Characterization and Investigation of the Catalytic Activity for Oxidation of Toluene in Liquid Phase

In this research, Ag/ZnO nanocomposites were prepared and characterized by transition electron microscopy (TEM), the energy dispersive X-ray spectrum (EDS) and X-ray diffraction patterns (XRD). These nanocomposites were used as catalysts for the oxidation of toluene to benzaldehyde and benzoic acid with hydrogen peroxide (H2O2) and tert-butylhydroperoxide (TBHP) as oxidizing agent in the liquid...

Preparation of BaCe0.9Yb0.1O3-δ asymmetrical membrane for hydrogen separation at high tempratures

A mixed proton–electron conducting perovskite was synthesized by liquid-citrate method and the corresponding membrane was prepared by pressing followed by sintering. The hydrogen permeability of BaCe0.9Yb0.1O3-δ was studied as a function of temperature and hydrogen partial pressure (PH2) gradient. Using 100% dry hydrogen at 1173 K, the hydrogen permeation rate of dense membranes (1.63 mm thick)...