水-乙酸-糠醛三元体系相平衡数据关联与共沸精馏过程模拟

VLE correlation and azeotropic distillation simulation for water-acetic acid-furfural ternary system

Phase equilibria for three binary systems，water-acetic acid，water-furfural，and acetic acid-furfural，at various pressures were simulated by NRTL-HOC(Hayden-O′Connell equations)and UNIQUAC-HOC models. The association of acetic acid in vapor phase was considered and the nonideality of vapor phase was corrected by Virial and Hayden-O′Connell equations. Considering the non-ideal behavior of the liquid phase，the NRTL and UNIQUAC models were employed to account for nonidealities in the liquid phase. The data regression option was used with a generalized least-squares method based on the maximum likelihood principle. The results show that the NRTL-HOC model that describes binary vapor-liquid equilibrium for the water-acetic acid system is better than the UNIQUAC-HOC model, whereas the UNIQUAC-HOC model is more effective to describe the water-furfural and acetic acid-furfural binary systems. In addition，the UNIQUAC-HOC model presents a very good prediction to the phase equilibrium of the water-acetic acid-furfural ternary system at 101.33 kPa using the pertinent parameters of the binary systems，and the rectification process of water-acetic acid-furfural ternary system was simulated with the residue curve maps of the ternary system. The results indicate that the binary interaction parameters obtained are accurate and reliable.  The residue curve maps are important for the design and operation of heterogeneous azeotrope rectification process of water-acetic acid-furfural ternary system.