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Fluid Phase Equilibria is a peer-reviewed scientific journal on physical chemistry and thermodynamics that is published by Elsevier.The articles deal with experimental, theoretical and applied research related to properties of pure components and mixtures, especially phase equilibria, caloric and transport properties of fluid and solid phases.
VLE of the mixture of chloroform and methanol plus NRTL fit and extrapolation to different pressures. The non-random two-liquid model [1] (abbreviated NRTL model) is an activity coefficient model introduced by Renon and Prausnitz in 1968 that correlates the activity coefficients of a compound with its mole fractions in the liquid phase concerned.
Today the UNIQUAC model is frequently applied in the description of phase equilibria (i.e. liquid–solid, liquid–liquid or liquid–vapor equilibrium). The UNIQUAC model also serves as the basis of the development of the group contribution method UNIFAC, [3] where molecules are subdivided into functional groups. In fact, UNIQUAC is equal to ...
Statistical associating fluid theory (SAFT) [1] [2] is a chemical theory, based on perturbation theory, that uses statistical thermodynamics to explain how complex fluids and fluid mixtures form associations through hydrogen bonds. [3] Widely used in industry and academia, it has become a standard approach for describing complex mixtures.
The simplest phase diagrams are pressure–temperature diagrams of a single simple substance, such as water. The axes correspond to the pressure and temperature. The phase diagram shows, in pressure–temperature space, the lines of equilibrium or phase boundaries between the three phases of solid, liquid, and gas.
PSRK (short for Predictive Soave–Redlich–Kwong) [1] is an estimation method for the calculation of phase equilibria of mixtures of chemical components. The original goal for the development of this method was to enable the estimation of properties of mixtures containing supercritical components.
In case the development of a cubic model for a pure component is targeted, the purpose would be to replicate the specific volume behaviour of the fluid in terms of temperature and pressure. At a given temperature, any cubic functional form results in two separate roots which makes us capable of modelling the behaviour of both vapour and liquid ...
In 1998, Ghiorso, Hirschmann and Tim Grove established the Library of Experimental Phase Relations (LEPR), an online database for experimental results on solid-melt equilibria. [ 17 ] [ 20 ] With Guilherme (Guil) Gualda, he modified MELTS to work better with rhyolite , a silicate-rich series of rocks, and released rhyolite-MELTS.