Tubular electrocatalytic membrane reactor for alcohol oxidation: CFD simulation and experiment

doi:10.1016/j.cjche.2016.05.020

›› 2017, Vol. 25 ›› Issue (1): 18-25.DOI: 10.1016/j.cjche.2016.05.020

• Fluid Dynamics and Transport Phenomena • Previous Articles Next Articles

Tubular electrocatalytic membrane reactor for alcohol oxidation: CFD simulation and experiment

Xin Wei^1,2, Hong Wang^1,2, Zhen Yin³, Saood Qaseem^1,2, Jianxin Li²

1 State Key Laboratory of Separation Membranes and Membrane Processes, Tianjin Polytechnic University, Tianjin 300387, China;
2 School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387, China;
3 School of Environmental and Chemical Engineering, Tianjin Polytechnic University, Tianjin 300387, China

Received:2016-04-07 Revised:2016-05-23 Online:2017-02-15 Published:2017-01-28
Supported by:
Supported by the National Natural Science Foundation of China (21206119 and 21576208) and the Program for Changjiang Scholars and Innovative Research Team in University of Ministry of Education of China (IRT13084).

Tubular electrocatalytic membrane reactor for alcohol oxidation: CFD simulation and experiment

Xin Wei^1,2, Hong Wang^1,2, Zhen Yin³, Saood Qaseem^1,2, Jianxin Li²

1 State Key Laboratory of Separation Membranes and Membrane Processes, Tianjin Polytechnic University, Tianjin 300387, China;
2 School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387, China;
3 School of Environmental and Chemical Engineering, Tianjin Polytechnic University, Tianjin 300387, China

通讯作者: Jianxin Li,E-mail address:jxli@tjpu.edu.cn
基金资助:
Supported by the National Natural Science Foundation of China (21206119 and 21576208) and the Program for Changjiang Scholars and Innovative Research Team in University of Ministry of Education of China (IRT13084).

Abstract

Abstract: A functional electrocatalytic membrane reactor (ECMR) was performed for the electrocatalytic oxidation of 2,2,3,3-tetrafluoro-1-propanol (TFP) into high value-added sodium 2,2,3,3-tetrafluoropropionate (STFP). A computational fluid dynamics (CFD) technique was applied to simulate the hydrodynamic distributions along a tubular ECMR so as to provide guidance for the design and optimization of ECMR. Two-dimensional simulation with porous media model was employed to predict the properties of fluid dynamics in ECMR. The experimental investigation was carried to confirm the CFD simulation. Results showed that a uniform distribution of permeate velocity along the tubular reactor with short length and large diameter could be obtained. TFP conversion of 97.7%, the selectivity to STFP of 99.9% and current efficiency of 40.1% were achieved from the ECMR with a length of 40 mm and an inside diameter of 53 mm. The simulations were in good agreement with the experimental results.

Key words: Computational fluid dynamics (CFD), Electrocatalytic membrane reactor (ECMR), 2,2,3,3-Tetrafluoro-1-propanol (TFP), 2,2,3,3-Tetrafluoropropionate (STFP), Hydrodynamic distribution

摘要： A functional electrocatalytic membrane reactor (ECMR) was performed for the electrocatalytic oxidation of 2,2,3,3-tetrafluoro-1-propanol (TFP) into high value-added sodium 2,2,3,3-tetrafluoropropionate (STFP). A computational fluid dynamics (CFD) technique was applied to simulate the hydrodynamic distributions along a tubular ECMR so as to provide guidance for the design and optimization of ECMR. Two-dimensional simulation with porous media model was employed to predict the properties of fluid dynamics in ECMR. The experimental investigation was carried to confirm the CFD simulation. Results showed that a uniform distribution of permeate velocity along the tubular reactor with short length and large diameter could be obtained. TFP conversion of 97.7%, the selectivity to STFP of 99.9% and current efficiency of 40.1% were achieved from the ECMR with a length of 40 mm and an inside diameter of 53 mm. The simulations were in good agreement with the experimental results.

关键词: Computational fluid dynamics (CFD), Electrocatalytic membrane reactor (ECMR), 2,2,3,3-Tetrafluoro-1-propanol (TFP), 2,2,3,3-Tetrafluoropropionate (STFP), Hydrodynamic distribution

Xin Wei, Hong Wang, Zhen Yin, Saood Qaseem, Jianxin Li. Tubular electrocatalytic membrane reactor for alcohol oxidation: CFD simulation and experiment[J]. , 2017, 25(1): 18-25.

References

[1] G.J. ten Brink, I. Arends, R.A. Sheldon, Green, catalytic oxidation of alcohols in water, Science 287(5458) (2000) 1636-1639.
[2] A. Funakawa, I. Yamanaka, S. Takenaka, K. Otsuka, Selectivity control of carbonylation of methanol to dimethyl oxalate and dimethyl carbonate over gold anode by electrochemical potential, J. Am. Chem. Soc. 126(17) (2004) 5346-5347.
[3] J.-i. Yoshida, K. Kataoka, R. Horcajada, A. Nagaki, Modern strategies in electroorganic synthesis, Chem. Rev. 108(7) (2008) 2265-2299.
[4] Y. Yang, J. Li, H. Wang, X. Song, T. Wang, B. He, X. Liang, H.H. Ngo, An electrocatalytic membrane reactor with self-cleaning function for industrial wastewater treatment, Angew. Chem. Int. Ed. 50(9) (2011) 2148-2150.
[5] Y. Yang, H. Wang, J. Li, B. He, T. Wang, S. Liao, Novel functionalized nano-TiO₂ loading electrocatalytic membrane for oily wastewater treatment, Environ. Sci. Technol. 46(12) (2012) 6815-6821.
[6] H. Wang, H. Wang, J. Li, D. Bin, Z. Yin, J. Kang, B. He, An electrocatalytic reactor for the high selectivity production of sodium 2,2,3,3-tetrafluoropropionate from 2,2,3,3-tetrafluoro-1-propanol, Electrochim. Acta 123(2014) 33-41.
[7] D. Bin, H. Wang, J. Li, H. Wang, Z. Yin, J. Kang, B. He, Z. Li, Controllable oxidation of glucose to gluconic acid and glucaric acid using an electrocatalytic reactor, Electrochim. Acta 130(2014) 170-178.
[8] Y. Zhang, K. Wei, W. Han, X. Sun, J. Li, J. Shen, L. Wang, Improved electrochemical oxidation of tricyclazole from aqueous solution by enhancing mass transfer in a tubular porous electrode electrocatalytic reactor, Electrochim. Acta 189(2016) 1-8.
[9] M.H. Schnoor, C.D. Vecitis, Quantitative examination of aqueous ferrocyanide oxidation in a carbon nanotube electrochemical filter:Effects of flow rate, ionic strength, and cathode material, J. Phys. Chem. C 117(6) (2013) 2855-2867.
[10] T. Carroll, N.A. Booker, Axial features in the fouling of hollow-fibre membranes, J. Membr. Sci. 168(1-2) (2000) 203-212.
[11] X. Li, J. Li, J. Wang, H. Wang, B. He, H. Zhang, W. Guo, H.H. Ngo, Experimental investigation of local flux distribution and fouling behavior in double-end and dead-end submerged hollow fiber membrane modules, J. Membr. Sci. 453(2014) 18-26.
[12] P. Talebizadeh, H. Rahimzadeh, M. Babaie, S. Javadi Anaghizi, H. Ghomi, G. Ahmadi, R. Brown, Evaluation of residence time on nitrogen oxides removal in non-thermal plasma reactor, PLoS One 10(10) (2015), e0140897.
[13] S.F. Benjamin, Z. Liu, C.A. Roberts, Automotive catalyst design for uniform conversion efficiency, Appl. Math. Model. 28(6) (2004) 559-572.
[14] M.W.D. Brannock, H. De Wever, Y. Wang, G. Leslie, Computational fluid dynamics simulations of MBRs:Inside submerged versus outside submerged membranes, Desalination 236(1-3) (2009) 244-251.
[15] G. Wu, T. Song, CFD simulation of the effect of upstream flow distribution on the light-off performance of a catalytic converter, Energy Convers. Manag. 46(13-14) (2005) 2010-2031.
[16] R. Abejón, C.L. Gijiu, M.P. Belleville, D. Paolucci-Jeanjean, J. Sanchez-Marcano, Simulation and analysis of the performance of tubular enzymatic membrane reactors under different configurations, kinetics and mass transport conditions, J. Membr. Sci. 473(2015) 189-200.
[17] FLUENT, Fluent 6 user's guide, FLUENT, Lebanon, USA, 2005.
[18] C.-C. Tseng, C.-J. Li, Numerical investigation of the inertial loss coefficient and the porous media model for the flow through the perforated sieve tray, Chem. Eng. Res. Des. 106(2016) 126-140.
[19] M. Musto, N. Bianco, G. Rotondo, F. Toscano, G. Pezzella, A simplified methodology to simulate a heat exchanger in an aircraft's oil cooler by means of a porous media model, Appl. Therm. Eng. 94(2016) 836-845.
[20] K.S. Kshetrimayum, I. Jung, J. Na, S. Park, Y. Lee, S. Park, C.-J. Lee, C. Han, Cfd simulation of microchannel reactor block for Fischer-Tropsch synthesis:Effect of coolant type and wall boiling condition on reactor temperature, Ind. Eng. Chem. Res. 55(3) (2016) 543-554.
[21] W. Sheng, S. Wang, Distribution optimization for plate-fin catalytic combustion heat exchanger, Chem. Eng. J. 131(1) (2007) 171-179.
[22] X. Wang, F. Thauvin, K.K. Mohanty, Non-Darcy flow through anisotropic porous media, Chem. Eng. Sci. 54(12) (1999) 1859-1869.
[23] J.I. Yoshida, H. Kim, A. Nagaki, Green and sustainable chemical synthesis using flow microreactors, ChemSusChem 4(3) (2011) 331-340.
[24] L. Hanguo, C. Zhanfeng, Optimization of operating conditions for glucose oxidation in an enzymatic membrane bioreactor, J. Membr. Sci. 302(1-2) (2007) 180-187.
[25] J. Liu, Z. Cui, Optimization of operating conditions for glucose oxidation in an enzymatic membrane bioreactor, J. Membr. Sci. 302(s 1-2) (2007) 180-187.
[26] E. Emmanuel, G. Keck, J.-M. Blanchard, P. Vermande, Y. Perrodin, Toxicological effects of disinfections using sodium hypochlorite on aquatic organisms and its contribution to AOX formation in hospital wastewater, Environ. Int. 30(7) (2004) 891-900.
[27] F. Karimi, S.N. Ashrafizadeh, F. Mohammadi, Process parameter impacts on adiponitrile current efficiency and cell voltage of an electromembrane reactor using emulsion-type catholyte, Chem. Eng. J. 183(2012) 402-407.
[28] M. Ramstedt, A.V. Shchukarev, S. Sjöberg, Characterization of hydrous manganite (γ-MnOOh) surfaces-An XPS study, Surf. Interface Anal. 34(1) (2002) 632-636.
[29] H. Liu, C.D. Vecitis, Reactive transport mechanism for organic oxidation during electrochemical filtration:Mass-transfer, physical adsorption, and electrontransfer, J. Phys. Chem. C 116(1) (2012) 374-383.
[30] A. Singh, L. Spiccia, Water oxidation catalysts based on abundant 1st row transition metals, Coord. Chem. Rev. 257(17-18) (2013) 2607-2622.
[31] S. Chang, A.G. Fane, The effect of fibre diameter on filtration and flux distribution-Relevance to submerged hollow fibre modules, J. Membr. Sci. 184(2) (2001) 221-231.
[32] X. Li, J. Li, H. Wang, X. Huang, B. He, Y. Yao, J. Wang, H. Zhang, H.H. Ngo, W. Guo, A filtration model for prediction of local flux distribution and optimization of submerged hollow fiber membrane module, AICHE J. 61(12) (2015) 4377-4386.

Tubular electrocatalytic membrane reactor for alcohol oxidation: CFD simulation and experiment

Tubular electrocatalytic membrane reactor for alcohol oxidation: CFD simulation and experiment

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