Theoretical Prediction and Experimental Determination of Vapour-Liquid Equilibrium for Ternary Systems Trimethyl Borate-Methanol-N,N-Dimethylformamide/N,N-Dimethylacetamide

Zhenyu Bao; Weijiang Zhang; Xianbao Cui; Jiao Xu

doi:10.14233/ajchem.2015.18272

Issue

Vol. 27 No. 8 (2015): Vol 27 Issue 8

Issue Published : April 27, 2015

This work is licensed under a Creative Commons Attribution 4.0 International License.

Theoretical Prediction and Experimental Determination of Vapour-Liquid Equilibrium for Ternary Systems Trimethyl Borate-Methanol-N,N-Dimethylformamide/N,N-Dimethylacetamide

https://doi.org/10.14233/ajchem.2015.18272

Zhenyu Bao

Department of Chemical Engineering, Tianjin University, Tianjin 300072, P.R. China

Weijiang Zhang

Department of Chemical Engineering, Tianjin University, Tianjin 300072, P.R. China

Xianbao Cui

Department of Chemical Engineering, Tianjin University, Tianjin 300072, P.R. China

Jiao Xu

Department of Chemical Engineering, Tianjin University, Tianjin 300072, P.R. China

Corresponding Author(s) : Jiao Xu

xujiaohh@163.com

Asian Journal of Chemistry, Vol. 27 No. 8 (2015): Vol 27 Issue 8
Article Published : April 27, 2015

Abstract

Vapour-liquid equilibrium prediction of ternary systems: trimethyl borate-methanol-N,N-dimethylformamide and trimethyl borate-methanol-N,N-dimethylacetamide were conducted through combined utilization of Materials Studio, COSMO-SAC program and ChemCAD. The vapour-liquid equilibrium data obtained were compared with the experimentally measured data. Results showed that predicted values were comparatively conservative than measured ones, which indicated better performance of solvents can be achieved actually. Measured data were correlated using three frequently used activity coefficient models, of which binary interaction coefficients were obtained. The solvents displayed obvious solvent effect, especially N,N-dimethylacetamide. This proves the validity of N,N-dimethylacetamide as an effective solvent.

Keywords

Vapour-liquid equilibrium Quantum mechanics calculation Trimethyl borate N N-dimethylformamide N-dimethylacetamide

Bao, Z., Zhang, W., Cui, X., & Xu, J. (2015). Theoretical Prediction and Experimental Determination of Vapour-Liquid Equilibrium for Ternary Systems Trimethyl Borate-Methanol-N,N-Dimethylformamide/N,N-Dimethylacetamide. Asian Journal of Chemistry, 27(8), 2883–2886. https://doi.org/10.14233/ajchem.2015.18272

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References

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References

J. Gmehling and U. Onken, Vapor-Liquid Equilibrium Data Collection, Dechema, Frankfurt, Vol. 1, Part-2a (1982).

R. Will, CEH Product Review-Specialty Boron Chemicals, In: Chemical Economics Handbook, SRI International, Menlo Park, California, pp. 510.5000 A-510.5001 N (1991).

F.M. Khoury, Multistage Separation Process, CRC Press, New York Ch. 10 (2005).

E.R. Foucher, M.F. Doherty and M.F. Malone, Ind. Eng. Chem. Res., 30, 760 (1991); doi:10.1021/ie00052a021.

B. van Dyk and I. Nieuwoudt, Ind. Eng. Chem. Res., 39, 1423 (2000); doi:10.1021/ie9904753.

L. Wu, W.X. Chang and G.F. Guan, Ind. Eng. Chem. Res., 46, 1254 (2007); doi:10.1021/ie060022f.

Y. Peng, J. Fu and X. Lu, Fluid Phase Equilib., 363, 220 (2014); doi:10.1016/j.fluid.2013.11.036.

Q. Li, P. Liu, L. Cao, F. Wen, S. Zhang and B. Wang, Fluid Phase Equilib., 360, 439 (2013); doi:10.1016/j.fluid.2013.09.060.

F. Cai, X. Wu, C. Chen, X. Chen, C. Asumana, M.R. Haque and G. Yu, Fluid Phase Equilib., 352, 47 (2013); doi:10.1016/j.fluid.2013.05.021.

X. Song, Y. Wang, K. Wang and R. Xu, Ind. Eng. Chem. Res., 51, 13438 (2012); doi:10.1021/ie300914h.

L. Changshi, J. Chem. Eng. Data, 56, 2 (2011); doi:10.1021/je100453x.

J. Gmehling and U. Onken, Vapor-Liquid Equilibrium Data Collection, Dechema, Frankfurt Vol. 1, Part-5 (1982).

Z. Tian, X.B. Cui, J.L. Cai, Y. Zhang, T.Y. Feng, Y.M. Peng and L.X. Xue, Fluid Phase Equilib., 352, 75 (2013); doi:10.1016/j.fluid.2013.05.020.

Issue

Vol. 27 No. 8 (2015): Vol 27 Issue 8

Theoretical Prediction and Experimental Determination of Vapour-Liquid Equilibrium for Ternary Systems Trimethyl Borate-Methanol-N,N-Dimethylformamide/N,N-Dimethylacetamide

Corresponding Author(s) : Jiao Xu

Abstract

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