Abstract:

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.

摘要：

通过最大似然法，采用NRTL-HOC和UNIQUAC-HOC模型对水-乙酸、水-糠醛、乙酸-糠醛二元体系相平衡进行回归模拟，发现NRTL-HOC模型较适合于水-乙酸二元体系，UNIQUAC-HOC模型较适合于水-糠醛、乙酸-糠醛二元体系；选择UNIQUAC-HOC模型，根据二元相互作用参数推算出水-乙酸-