Liquid dibromomethane under pressure: a computational study.

Molecular dynamics simulations have been performed on liquid dibromomethane at thermodynamic states corresponding to temperature in the range 268-328 K and pressure varying from 1 bar to 3000 bar. The interaction model is a simple effective two-body pair potential with atom-atom Coulomb and Lennard-Jones interactions and molecules are rigid. Thermodynamic properties have been studied, including the isobaric thermal expansion coefficient, the isothermal compressibility, the heat capacities and the speed of sound.

The prediction of high-pressure volumetric properties of compressed liquids using the two states model.

In this work, we argue that the volumetric properties of liquids cannot be reproduced by a single isothermal equation of state derived by the compressibility route for the whole pressure region extended up to a GPa pressure but require the consideration of two states associated with qualitatively different molecular packing properties. This is confirmed by examples of polar and non-polar substances within the range of temperatures from 203.15 K to 491.

Author Correction: A Fluctuation Equation of State for Prediction of High-Pressure Densities of Ionic Liquids.

A correction to this article has been published and is linked from the HTML version of this paper. The error has been fixed in the paper.

A Fluctuation Equation of State for Prediction of High-Pressure Densities of Ionic Liquids.

During this work, we demonstrate, for the first time, that the volumetric properties of pure ionic liquids could be truly predicted as a function of temperature from 219 K to 473 K and pressure up to 300 MPa. This has been achieved by using only density and isothermal compressibility data at atmospheric pressure through the Fluctuation Theory-based Tait-like Equation of State (FT-EoS). The experimental density data of 80 different ionic liquids, described in the literature by several research groups as a function of temperature and pressure, was then used to provide comparisons.