Modelling of volumetric properties of binary and ternary mixtures by CEOS, CEOS/Ge and empirical models

Abstract

Although many cubic equations of state coupled with van der Waals-one fluid mixing rules including temperature dependent interaction parameters are sufficient for representing phase equilibria and excess properties (excess molar enthalpy H E , excess molar volume V E , etc.), difficulties appear in the correlation and prediction of thermodynamic properties of complex mixtures at various temperature and pressure ranges. Great progress has been made by a new approach based on CEOS/G E models. This paper reviews the last six-year of progress achieved in modelling of the volumetric properties for complex binary and ternary systems of non-electrolytes by the CEOS and CEOS/G E approaches. In addition, the vdW1 and TCBT models were used to estimate the excess molar volume V E of ternary systems methanol + chloroform + benzene and 1-propanol + chloroform + benzene, as well as the corresponding binaries methanol + chloroform, chloroform + benzene, 1-propanol + chloroform and 1-propanol + benzene at 288.15-313.15 K and atmospheric pressure. Also, prediction of V E for both ternaries by empirical models (Radojković, Kohler, Jackob-Fitzner, Colinet, Tsao-Smith, Toop, Scatchard, Rastogi) was performed.

Experimental determination and modeling of excess molar volumes, viscosities and refractive indices of the binary systems (pyridine+1-propanol, +1,2-propanediol, +1,3-propanediol, and +glycerol). New UNIFAC-VISCO parameters determination

“…Parameters in both mixing rules were used as temperature independent (correlation at each temperature). Details about the models used in this work can be found in our previous papers [32][33][34][35]. In order to obtain the model parameters or coefficients, the Marquardt optimization technique [36] was used for the minimization of the objective function given by the equation:…”

Densities, viscosities, and refractive indices of the binary systems (PEG200+1,2-propanediol, +1,3-propanediol) and (PEG400+1,2-propanediol, +1,3-propanediol) at (288.15 to 333.15)K and atmospheric pressure: Measurements and modeling

“…Critical parameters of pure components [50,51] used in the equation of state modeling are given in table A1, Appendix A. Parameters in all mixing rules, used as temperature independent (correlation performed at each temperature), are as follows: k ij,1 , m ij,1 for vdW1-2, k ij,1 , l ij,1 , m ij,1 for vdW1-3, Dg 12,1 , Dg 21,1 for TCBT-2 and k ij,1 , Dg 12,1 , Dg 21,1 for TCBT-3. Details about the models used in this work can be found in our previous papers [52][53][54][55][56].…”

Modeling of Volumetric Properties of Organic Mixtures Based on Molecular Interactions

“…Optimization procedure for appropriate parameters or coefficients determination was performed using the methods described in our previous papers (Djordjević et al, 2007;Kijevčanin et al, 2007c;Šerbanović et al, 2006). Parameters of different CEOS and CEOS/G E mixing rules were treated as temperature independent or temperature dependent (only for whole temperature range correlation).…”