Comparison of cubic-plus-association and soave-redlich-kwong equations of state for prediction of vapor-liquid equilibrium of fischer-tropsch reaction mixture
Апстракт
Predictions of vapor liquid equilibrium for Fischer-Tropsch mixtures were com-pared using the classical Soave-Redlich-Kwong (SRK) and cubic-plus-asso-ciation (CPA) equations of state. The performance of the two equations of state was evaluated based on comparison with results from eight sets of exp-erimental runs in which different process conditions (pressure, reactants feed ratio, space velocity) were used. Flash calculations were used to determine the phase split at defined process conditions, whereas the phase equilibrium was defined utilizing the concept of equal fugacities in the vapor and the liquid phase for all components. A total of 75 components were considered in the reaction mixture: CO, H-2, H2O, CO2, C-1-C-57 paraffins and C-2-C-15 olefins. All calculations were performed in MATLAB. The results showed that both equat-ions of state had similar performance regarding the hydrocarbons, whereas CPA gave better results with inorganic components and SRK with prediction of the c...omposition of the liquid phase. Computational time for CPA was sub-stantially (100 times with the CPU used) higher than that for SRK. Overall, the use of CPA did not improve VLE prediction for FTS systems significantly enough to be recommended for use in FTS reactor models.
Кључне речи:
Fischer-Tropsch synthesis / VLE / equation of state / cubic-plus-association / Soave-Redlich-KwongИзвор:
Chemical Industry & Chemical Engineering Quarterly, 2019, 25, 1, 67-76Издавач:
- Savez hemijskih inženjera, Beograd
Финансирање / пројекти:
- Qatar National Research Fund (a member of the Qatar Foundation) [NPRP 7-559-2-211]
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Zivanić, Ljiljana AU - Stamenić, Marko AU - Todić, Branislav AU - Bukur, Dragomir B. AU - Nikačević, Nikola PY - 2019 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4246 AB - Predictions of vapor liquid equilibrium for Fischer-Tropsch mixtures were com-pared using the classical Soave-Redlich-Kwong (SRK) and cubic-plus-asso-ciation (CPA) equations of state. The performance of the two equations of state was evaluated based on comparison with results from eight sets of exp-erimental runs in which different process conditions (pressure, reactants feed ratio, space velocity) were used. Flash calculations were used to determine the phase split at defined process conditions, whereas the phase equilibrium was defined utilizing the concept of equal fugacities in the vapor and the liquid phase for all components. A total of 75 components were considered in the reaction mixture: CO, H-2, H2O, CO2, C-1-C-57 paraffins and C-2-C-15 olefins. All calculations were performed in MATLAB. The results showed that both equat-ions of state had similar performance regarding the hydrocarbons, whereas CPA gave better results with inorganic components and SRK with prediction of the composition of the liquid phase. Computational time for CPA was sub-stantially (100 times with the CPU used) higher than that for SRK. Overall, the use of CPA did not improve VLE prediction for FTS systems significantly enough to be recommended for use in FTS reactor models. PB - Savez hemijskih inženjera, Beograd T2 - Chemical Industry & Chemical Engineering Quarterly T1 - Comparison of cubic-plus-association and soave-redlich-kwong equations of state for prediction of vapor-liquid equilibrium of fischer-tropsch reaction mixture EP - 76 IS - 1 SP - 67 VL - 25 DO - 10.2298/CICEQ180403018Z ER -
@article{ author = "Zivanić, Ljiljana and Stamenić, Marko and Todić, Branislav and Bukur, Dragomir B. and Nikačević, Nikola", year = "2019", abstract = "Predictions of vapor liquid equilibrium for Fischer-Tropsch mixtures were com-pared using the classical Soave-Redlich-Kwong (SRK) and cubic-plus-asso-ciation (CPA) equations of state. The performance of the two equations of state was evaluated based on comparison with results from eight sets of exp-erimental runs in which different process conditions (pressure, reactants feed ratio, space velocity) were used. Flash calculations were used to determine the phase split at defined process conditions, whereas the phase equilibrium was defined utilizing the concept of equal fugacities in the vapor and the liquid phase for all components. A total of 75 components were considered in the reaction mixture: CO, H-2, H2O, CO2, C-1-C-57 paraffins and C-2-C-15 olefins. All calculations were performed in MATLAB. The results showed that both equat-ions of state had similar performance regarding the hydrocarbons, whereas CPA gave better results with inorganic components and SRK with prediction of the composition of the liquid phase. Computational time for CPA was sub-stantially (100 times with the CPU used) higher than that for SRK. Overall, the use of CPA did not improve VLE prediction for FTS systems significantly enough to be recommended for use in FTS reactor models.", publisher = "Savez hemijskih inženjera, Beograd", journal = "Chemical Industry & Chemical Engineering Quarterly", title = "Comparison of cubic-plus-association and soave-redlich-kwong equations of state for prediction of vapor-liquid equilibrium of fischer-tropsch reaction mixture", pages = "76-67", number = "1", volume = "25", doi = "10.2298/CICEQ180403018Z" }
Zivanić, L., Stamenić, M., Todić, B., Bukur, D. B.,& Nikačević, N.. (2019). Comparison of cubic-plus-association and soave-redlich-kwong equations of state for prediction of vapor-liquid equilibrium of fischer-tropsch reaction mixture. in Chemical Industry & Chemical Engineering Quarterly Savez hemijskih inženjera, Beograd., 25(1), 67-76. https://doi.org/10.2298/CICEQ180403018Z
Zivanić L, Stamenić M, Todić B, Bukur DB, Nikačević N. Comparison of cubic-plus-association and soave-redlich-kwong equations of state for prediction of vapor-liquid equilibrium of fischer-tropsch reaction mixture. in Chemical Industry & Chemical Engineering Quarterly. 2019;25(1):67-76. doi:10.2298/CICEQ180403018Z .
Zivanić, Ljiljana, Stamenić, Marko, Todić, Branislav, Bukur, Dragomir B., Nikačević, Nikola, "Comparison of cubic-plus-association and soave-redlich-kwong equations of state for prediction of vapor-liquid equilibrium of fischer-tropsch reaction mixture" in Chemical Industry & Chemical Engineering Quarterly, 25, no. 1 (2019):67-76, https://doi.org/10.2298/CICEQ180403018Z . .