Related papers: The average free volume model for the ionic and si…
In this work, the molar volume thermal expansion coefficient of 59 room temperature ionic liquids is compared with their van der Waals volume Vw. Regular correlation can be discerned between the two quantities. An average free volume model,…
We introduce and test via molecular simulation a simple model for predicting the manner in which interparticle interactions and thermodynamic conditions impact the single-particle free-volume distributions of equilibrium fluids. The model…
At thermal equilibrium, intensive quantities like temperature and pressure have to be uniform throughout the system, restricting inhomogeneous systems composed of different phases. The paradigmatic example is the coexistence of vapor and…
This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…
The relationship between the volume and surface energy coefficients in the liquid drop A^{-1/3} expansion of nuclear masses is discussed. The volume and surface coefficients in the liquid drop expansion share the same physical origin and…
Recent progress on molecular theories of hydration of nonpolar solutes in aqueous solution has led to new ways of thinking about the old issue of free, or "available," volume in liquids. This article surveys the principal new results with…
An extended Designed regression analysis of experimental data on density and refractive indices of several classes of ionic liquids yielded statistically averaged atomic volumes and polarizabilities of the constituting atoms. These values…
We present a new model of warm dense matter that represents an intermediate approach between the relative simplicity of ''one-ion'' average atom models and the more realistic but computationally expensive ab initio simulation methods.…
The isothermal compressibility of water is essential to understand its anomalous properties. We compute it by ab initio molecular dynamics simulations of 200 molecules at five densities, using two different van der Waals density…
Experiments show that all the derivatives of the thermo-physical variables are nearly constant. The constant value of the derivatives indicates linear relationship between the variables. Neither the volume coefficient of thermal expansion…
An important question in understanding the structure of ionic liquids is whether ions are truly "free" and mobile which would correspond to a concentrated ionic melt, or are rather "bound" in ion pairs, that is a liquid of ion pairs with a…
Isothermal interfacial zones are investigated starting from a local energy which can be considered as the sum of two terms: one corresponding to a medium with a uniform composition equal to the local one and a second one associated with the…
Theoretically predicted linear correlation between the volume coefficient of thermal expansion and the thermal heat capacity was investigated for highly symmetrical atomic arrangements. Normalizing the data of these thermodynamic parameters…
The generalized van der Waals equation of state for anisotropic liquids in porous media consists of two terms.One of them is based on the equation of state for hard spherocylinders in random porous media obtained from the scaled particle…
We have developed a new theory relating partial molar volumes of binary mixtures to the specific (Voronoi) volumes. A simple relation gives new insight into the physical meaning of partial molar volumes in terms of the actual volumes…
Viscosities and their temperature, T, and volume, V, dependences are reported for 7 molecular liquids and polymers. In combination with literature viscosity data for 5 other liquids, we show that the superpositioning of relaxation times for…
This paper summarizes the properties of strongly correlating liquids, i.e., liquids with strong correlations between virial and potential energy equilibrium fluctuations at constant volume. We proceed to focus on the experimental…
A generalization of the Van der Waals excluded volume procedure for the multicomponent hadron gas is proposed. The derivation is based on the grand canonical partition function for the system of particles of several species interacting by…
We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for…
It is well established that the product of the volume coefficient of thermal expansion and the bulk modulus is nearly constant at temperatures higher than the Debye temperature. Using this approximation allows predicting the values of the…