Molecular-dynamics study of anomalous volumetric behavior of water-benzene mixtures in the vicinity of the critical region.

Infrared study of anomalous volume behavior of water–benzene mixtures in the vicinity of the critical region

Anomalous volumetric behavior of water-hexane and water-decane mixtures in the vicinity of the critical region as studied by infrared spectroscopy.

Infrared spectra of binary mixtures of water with hexane and decane were measured at temperatures and pressures in the 473-648 K and 70-350 bar ranges, respectively. Volumetric concentrations of water and the hydrocarbons in the mixtures were obtained from absorption intensities of the fundamental OH stretching band of HDO and combination transitions of the hydrocarbons. Using both the concentr...

Near-Infrared Study of Water and Water-Benzene Mixtures at High Temperatures and Pressures

Near-infrared absorption of water and water-benzene mixtures has been measured at temperatures and pressures in the range of subcritical and supercritical condition of water. The molar absorption intensity of the OH stretching overtone transition of neat water was obtained. It decreases linearly with increasing pressure in the region of gas and gaslike density. Enthalpy for dimerization has bee...

Molecular Dynamics Simulations of Freezing Behavior of Pure Water and 14% Water-NaCl Mixture Using the Coarse-Grained Model

 We performed molecular dynamics simulations using the coarse-grained model to study the freezing behavior of pure water and 14% water-salt mixture in a wide range of temperatures for a very long time around 50 nanoseconds. For the salty water, an interface in nanoscale was used. For both systems, the f...

Study of Volumetric Properties of N,N-Dimethyl Acetamide and 1-Alkanols Binary Mixtures at 298.15 K

In this study, the densities, excess molar volumes and partial molar volumes of four binary systems containing N,N-dimethyl acetamide (DMAc) with 1-alkanols (1-butanol up to 1-heptanol) are measured at 298.15 K. The results showed both constructive and expansive excess volumetric behavior for studying binary mixtures. Deviation values of heavy alcohol have more positive and less negative excess...