Molar Volume, Refraction and Interionic Forces

Refraction in volume graphics

Modeling Molar Refraction and Chromatographic Retention by Szeged Indices

Physico-chemical properties, such as the boiling point, molar refraction, critical pressure, viscosity, chromatographic retention, etc. are rather simple experimental available properties of chemical compounds. They are tabulated and may be used e.g., in projecting industrial instalations. Sometimes, it happends that a given compound is toxic, or dangereus or simply not available. In such condi...

Volume Denoising for Visualizing Refraction

Rendering refraction in volume visualization requires smoothly distributed normals to synthesize good quality visual representations. Such refractive visualizations are more susceptible to noise in the data than visualizations that do not involve refraction. In this paper, we present the first study to investigate convolution and diffusion methods with respect to this problem, highlighting the ...

Electronic excitations and their effect on the interionic forces in simulations of radiation damage in metals.

Using time-dependent tight-binding simulations of radiation damage cascades in a model metal we directly investigate the nature of the excitations of a system of quantum mechanical electrons in response to the motion of a set of classical ions. We furthermore investigate the effect of these excitations on the attractive electronic forces between the ions. We find that the electronic excitations...

An Accurate Correlation to Estimate Saturated Molar Volume of Liquids

There are a number of techniques available to estimate saturated-liquid molar or specific volumes or densities of liquids. In this study, a new empirical correlation is presented to calculate volume of saturated liquids as a function of critical volume, reduced temperature and acentric factor. An optimization algorithm is utilized to obtain unknown parameters of this correlation by fitting them...