Abstract—In this study, a thermodynamic model was combined with the conductor-like screening model for real solvents (COSMO-RS), coupled with chemical reaction equilibrium and mass balance, for describing the phase behavior and complex chemical equilibrium in the ternary system of formaldehyde–water–trioxane at temperatures between 413 K. New approach for the prediction of vapor-liquid equilibrium of the binary system (TOX + W) and the ternary system (FA+W+TOX) is compared with experimental data and UNIFAC method. The calculated vapor–liquid equilibrium (VLE) result shows good agreement with the experimental data. The COSMO-RS model has proven to be an accurate and effective method for predicting the activity coefficient, and also more reasonable for predicting the thermodynamic properties of formaldehyde–water–methanol reactive fluids.
Index Terms—COSMO-RS, modeling, phase equilibrium, formaldehyde aqueous solution, trioxane.
Huihong Liu is with College of Chemical Engineering, China University of Petroleum-Beijing, China. He is also with Centre of Technology & Research, China Bluechemical Ltd., CNOOC and State Key Laboratory of Heavy Oil Processing, China University of Petroleum-Beijing, China.
Zhenmin Bai, Yansheng Liu, and Xuqiang Guo are with College of Chemical Engineering, China University of Petroleum-Beijing, and he is also with State Key Laboratory of Heavy Oil Processing, China University of Petroleum-Beijing, China.
Yu’e Fu is with Centre of Technology & Research, China Bluechemical Ltd., CNOOC, China (e-mail: wsuper@cup.edu.cn).
[PDF]
Cite: Huihong Liu, Zhenmin Bai, Yansheng Liu, Xuqiang Guo, and Yu’e Fu, "Prediction of the Vapor–Liquid Equilibrium of Formaldehyde–Water–Trioxane Ternary System by the Conductor-Like Screening Model for Real Solvents," International Journal of Chemical Engineering and Applications vol. 8, no. 2, pp. 82-86, 2017.
