the simplified perturbed chain statistical associating fluid theory (spc-saft) equation of state (eos) was proposed to describe the thermodynamic properties of pure ionic liquids (ils). a set of spc-saft parameters for 2 ils was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. good agreement with experimental density data was o...

Molecular Dynamics is a powerful methodology for the comprehension at molecular level of many chemical and biochemical systems. The theories and techniques developed for structural and thermodynamic analyses are well established, and many software packages are available. However, designing starting configurations for dynamics can be cumbersome. Easily generated regular lattices can be used when...

Isothermal heat conduction microcalorimetry was used to evaluate chemical stability of a solid drug in tablets. A variety of mixtures were compressed to flat faced tablets of 300 mg weight and 10 mm diameter. The content of drug amounted to 10%. Besides drug containing tablets, also placebo tablets as well as the non compressed mixtures were examined by microcalorimetry at 80 degrees C. The exc...

Graphite was electrochemically exfoliated in mixtures of room temperature ionic liquids and deionized water containing lithium salts to produce functionalized graphenes and such an electrochemical exfoliation technique can be directly used in making primary battery electrodes with significantly enhanced specific energy capacity.

We report the measurements of the speed of sound in the binary liquid mixtures of acetone with toluene, chlorobenzene and nitrobenzene measured at 303 K. The studies on ultrasonic velocity, density and viscosity in binary liquid mixtures have been used to evaluate the different thermo acoustical parameters along with the excess properties. It was found that in all the cases, the experimental da...

Accurate threshold curves of laser-induced damage (7-ns single shot at 1.064 microm) are measured in bulk and at the surfaces of optical components such as substrates, thin films, multilayers, and liquids. The shapes and the slopes of the curves are related to the spot size and to the densities of the nanodefects that are responsible for damage. First, these densities are reported for bulk subs...

We employ the adaptive resolution approach AdResS, in its recently developed Grand Canonical-like version (GC-AdResS) [H. Wang, C. Hartmann, C. Schütte, and L. Delle Site, Phys. Rev. X 3, 011018 (2013)], to calculate the excess chemical potential, μ(ex), of various liquids and mixtures. We compare our results with those obtained from full atomistic simulations using the technique of thermodynam...

Abstract—Physicochemical properties of aqueous solutions a number proton ionic liquids (electrical conductivity, dissociation parameters, pH, and concentration functions) are determined using specially designed equipment the techniques computer resistometry. The correlations between physicochemical water–organic mixtures possible structure organic phase established.