Which thermodynamic method is better for calculating the separation of aromatic triphenyls?
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As title； I have read some literature on the calculation of the separation of aromatic triphenyls (benzene, toluene, xylene); in ASPEN PLUS software, the Wilson equation or the GS equation is often used, and the NRTL method is also employed. I wonder what thermodynamic method would be more accurate if PROⅡ is used for such calculations Could someone with experience give me some advice? Furthermore, the GS equation is usually used for calculations of non-polar systems at constant pressure, while triphenyl separation should belong to polar systems – is it appropriate to use the GS equation in this case? Thank you!
Personally, I think SRK would be more appropriate, as it better reflects the actual separation situation. Last edited by Michael8455 on 2009-3-24 09:45]
This system should be a non-polar system; I usually choose equilibrium equation of state models such as PR, SRK, and the like.
I think a equilibrium state equation should also be used. I’m not sure which papers LZ is referring to; I’d like to take a look.
Back to page 4: Regarding the use of Wilson’s equation, there is a paper titled \"Simulation Study on Thermal Integrated Distillation of Aromatics\" written by Yang Deming and Kuang Hua, which was published in the Journal of Petrochemical Universities in 2001； \"Simulation of the expansion and renovation of the B/T fractionation unit in the aromatic compounds complex\", written by Li Heng et al., was published in Computer and Applied Chemistry in 2006 ； Articles using the RK-soave method include \"Application of ASPEN PLUS in the Design of C8 Aromatic Separation Processes\" written by Chen Qiang, Meng Aimin, and others, which was published in Petroleum Processing Design in 2001 ； The Grayson-Streed equation of state is used in Zhang Yongming’s article titled “Application of Pro/II Simulation Software in the Renovation of Aromatic Hydrocarbon Distillation Systems”, published in Chemical Engineering in March 2004. There are many other studies on the simulation of aromatic hydrocarbon separation, but the thermodynamic methods employed vary from one study to another. Moreover, the simulations using the activity coefficient method and the equation of state method also have their respective applications.
Many simulations have been carried out, and the results using SRK are quite close to those based on the vapor-liquid data provided by patent holders
For the triphenyl separations I performed, I used SRK, and the results were good.