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

• Published in: Journal of the Serbian Chemical Society 2007-12, Vol.72 (12), p.1437-1463
• Main Authors: Djordjevic, Bojan, Serbanovic, Slobodan, Radovic, Ivona, Tasic, Aleksandar, Kijevcanin, Mirjana
• Format: Article
• Language: English
• Subjects: correlation; cubic EOS mixing rules; empirical models; non-electrolyte multicomponent systems; prediction; volumetric properties
• ISSN: 0352-5139; 1820-7421
• DOI: 10.2298/JSC0712437D

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 (Radojkovic, Kohler, Jackob-Fitzner, Colinet, Tsao-Smith, Toop, Scatchard, Rastogi) was performed. Iako su pravila mesanja bazirana na kubnim jednacinama stanja i van der Waals-jedan fluid pravilu mesanja, koja ukljucuju temperaturno zavisne parametre, dovoljna za proracun ravnoteze para-tecnost i dopunskih svojstava (dopunska molarna entalpija HE, dopunska molarna zapremina VE, itd.), problemi nastaju pri korelisanju i predskazivanju termodinamickih svojstava slozenih smesa u razlicitim intervalima temperature i pritiska. Veliki napredak je ostvaren pristupom baziranom na CEOS/GE modelima. Ovaj rad predstavlja pregled doprinosa u poslednjih sest godina nase istrazivacke grupe u modelovanju volumetrijskih svojstava slozenih binarnih i ternernih sistema neelektrolita pomocu CEOS i CEOS/GE pristupa. Posebno, vdW1 i TCBT modeli su primenjeni za izracunavanje VE podataka ternernih sistema metanol + hloroform + benzen i 1-propanol + hloroform + benzen, kao i odgovarajucih 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. Takodje, izvrseno je i predskazivanje VE podataka za oba ternerna sistema empirijskim modelima (Radojkovic, Kohler, Jackob-Fitzner, Colinet, Tsao-Smith, Toop, Scatchard i Rastogi).