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 HE, excess molar volume VE, 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/GE 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/GE approaches. In addition, the vdW1 and TCBT models were used to estimate the excess molar volume VE 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 VE for both ternaries by empirical models (Radojković, Kohler, Jackob-Fitzner, Colinet, Tsao-Smith, Toop, Scatchard, Rastogi) was performed.

Iako su pravila mešanja bazirana na kubnim jednačinama stanja i van der Waals-jedan fluid pravilu mešanja, koja uključuju temperaturno zavisne parametre, dovoljna za proračun ravnoteže para-tečnost i dopunskih svojstava (dopunska molarna entalpija HE, dopunska molarna zapremina VE, itd.), problemi nastaju pri korelisanju i predskazivanju termodinamičkih svojstava složenih smeša u različitim intervalima temperature i pritiska. Veliki napredak je ostvaren pristupom baziranom na CEOS/GE modelima. Ovaj rad predstavlja pregled doprinosa u poslednjih šest godina naše istraživačke grupe u modelovanju volumetrijskih svojstava složenih binarnih i ternernih sistema neelektrolita pomoću CEOS i CEOS/GE pristupa. Posebno, vdW1 i TCBT modeli su primenjeni za izračunavanje VE podataka ternernih sistema metanol + hloroform + benzen i 1-propanol + hloroform + benzen, kao i odgovarajućih binarnih sistema metanol + hloroform, hloroform + + benzen, 1-propanol + hloroform i 1-propanol + benzen u intervalu temperature 288.15- -313.15 K i na atmosferskom pritisku. Takođe, izvršeno je i predskazivanje VE podataka za oba ternerna sistema empirijskim modelima (Radojković, Kohler, Jackob-Fitzner, Colinet, Tsao-Smith, Toop, Scatchard i Rastogi).