CFD modeling for selective formation of propylene from methanol over synthesized Mn-substituted MFI metallosilicate catalyst

Document Type: Full article

Authors

1 Faculty of Chemical Engineering, Sahand University of Technology, Tabriz, Iran

2 Faculty of Chemical Engineering, University of Tabriz, Tabriz, Iran

Abstract

The high silica Mn-substituted MFI metallosilicate catalyst with Si/Al molar ratio of 220 and Si/Mn molar ratio of 50 was successfully synthesized by hydrothermal method. The catalyst sample was appropriately characterized by XRD, FE-SEM, EDX and BET techniques. The Mn-substituted MFI metallosilicate has not been reported as the potential catalyst for the methanol to propylene (MTP) reaction. The prepared catalyst was examined in the MTP reaction at the optimal operating conditions. Furthermore, for elucidating the flow field of the MTP fixed bed reactor, a three-dimensional (3D) reactor model was developed. A detailed reaction mechanism which was proposed for the MTP reaction over the Mn-impregnated MFI zeolite (Mn/H-ZSM-5) was properly employed. The reaction mechanism was integrated to a computational fluid dynamics (CFD) for simulating the kinetic, the energy equation and the hydrodynamics of the MTP process, simultaneously. The component distribution during proceeding of the MTP reaction was also simulated as a function of time on stream. The CFD modeling results were validated by the actual data which were obtained over the Mn-substituted MFI metallosilicate catalyst. With regard to the findings, the experimental data were in good agreement with the predicted values of the CFD modeling.

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Main Subjects


[1]      Hadi, N., Niaei, A., Nabavi, S. R. and Farzi, A., “Kinetic study of methanol to propylene process on high silica H-ZSM5 catalyst”, Iranian J. Chem. Eng., 10 (4), 16 (2013).

[2]      Hadi, N., Niaei, A., Nabavi, S. R., Alizadeh, R., Shirazi, M. N. and Izadkhah, B., “An intelligent approach to design and optimization of M-Mn/H-ZSM-5 (M: Ce, Cr, Fe, Ni) catalysts in conversion of methanol to propylene”, J. Taiwan Inst. Chem. Eng., 59, 173 (2016).

[3]      Hadi, N., Niaei, A., Nabavi, S. R., Farzi, A. and Shirazi, M. N., “Development of a new kinetic model for methanol to propylene process on Mn/H-ZSM-5 catalyst”, Chem. Biochem. Eng. Q., 28, 53 (2014).

[4]      Rostamizadeh, M. and Taeb, A., “Highly selective Me-ZSM-5 catalyst for methanol to propylene (MTP)”, J. Ind. Eng. Chem., 27, 297 (2015).

[5]      Guo, W., Xiao, W. and Luo, M., “Comparison among monolithic and randomly packed reactors for the methanol-to-propylene process”, Chem. Eng. J., 207, 734 (2012).

[6]      Guo, W., Wu, W., Luo, M. and Xiao, W., “Modeling of diffusion and reaction in monolithic catalysts for the methanol-to-propylene process”, Fuel Process. Technol., 108, 133 (2013).

[7]      Alwahabi, S. M. and Froment, G. F., “Conceptual reactor design for the methanol-to-olefins process on SAPO-34”, Ind. Eng. Chem. Res., 43, 5112 (2004).

[8]      Schoenfelder, H., Hinderer, J., Werther, J. and Keil, F. J., “Methanol to olefins: Prediction of the performance of a circulating fluidized-bed reactor on the basis of kinetic experiments in a fixed-bed reactor”, Chem. Eng. Sci., 49, 5377 (1994).

[9]      Soundararajan, S., Dalai, A. and Berruti, F., “Modeling of methanol to olefins (MTO) process in a circulating fluidized bed reactor”, Fuel, 80, 1187 (2001).

[10]  Chang, J., Zhang, K., Chen, H., Yang, Y. and Zhang, L., “CFD modelling of the hydrodynamics and kinetic reactions in a fluidised-bed MTO reactor”, Chem. Eng. Res. Des., 91, 2355 (2013).

[11]  Zhuang, Y. Q., Gao, X., Zhu, Y. P. and Luo, Z. H., “CFD modeling of methanol to olefins process in a fixed-bed reactor”, Powder Technol., 221, 419 (2012).

[12]  Zhu, L. T., Xie, L., Xiao, J. and Luo, Z. H., “Filtered model for the cold-model gas-solid flow in a large-scale MTO fluidized bed reactor”, Chem. Eng. Sci., 143, 369 (2016).

[13]  Lu, B., Luo, H., Li, H., Wang, W., Ye, M., Liu, Z. and Li, J., “Speeding up CFD simulation of fluidized bed reactor for MTO by coupling CRE model”, Chem. Eng. Sci., 143, 341 (2016).

[14]  Nijemeisland, M. and Dixon, A. G., “CFD study of fluid flow and wall heat transfer in a fixed bed of spheres”, AIChE J., 50, 906 (2004).

[15]  Ding, J. and Gidaspow, D., “A bubbling fluidization model using kinetic theory of granular flow”, AIChE J., 36, 523 (1990).

[16]  Tian, Z. F., Tu, J. Y. and Yeoh, G., “CFD studies of indoor airflow and contaminant particle transportation”, Particul. Sci. Technol., 25, 555 (2007).

[17]  Coussirat, M., Guardo, A., Mateos, B. and Egusquiza, E.,“Performance of stress transport models in the prediction of particle to fluid heat transfer in packed beds”, Chem. Eng. Sci., 62, 6897 (2007).

[18]  Salari, D., Niaei, A., Yazdi, P. C. and Derakhshani, M., “CFD flow and heat transfer simulation for empty and packed fixed bed reactor in catalytic cracking of naphtha”, Int. J. Chem. Biol. Eng., 1, 50 (2008).

[19]  Shahhosseini, S., Alinia, S. and Irani, M., “CFD simulation of fixed bed reactor in fischer-tropsch synthesis of GTL technology”, Proceeding of The World Academy of Science Engineering and Technology, World Academy Science Publications, Berlin, Germany, 1, pp. 585-589 (2009).

[20]  Guardo, A., Coussirat, M., Recasens, F., Larrayoz, M. and Escaler, X., “CFD study on particle-to-fluid heat transfer in fixed bed reactors: Convective heat transfer at low and high pressure”, Chem. Eng. Sci., 61, 4341 (2006).

[21]  Jin, Y., Asaoka, S., Zhang, S., Li, P. and Zhao, S., “Reexamination on transition-metal substituted MFI zeolites for catalytic conversion of methanol into light olefins”, Fuel Process. Technol., 115, 34 (2013).

[22]  Kim, Y., Kim, J. C., Jo, C., Kim, T. W., Kim, C. U., Jeong, S. Y. and Chae, H. J., “Structural and physicochemical effects of MFI zeolite nanosheets for the selective synthesis of propylene from methanol”, Microporous Mesoporous Mater., 222, 1 (2015).

[23]  Hadi, N., Niaei, A., Nabavi, S. R., Shirazi, M. N. and Alizadeh, R., “Effect of second metal on the selectivity of Mn/H-ZSM-5 catalyst in methanol to propylene process”, J. Ind. Eng. Chem., 29, 52 (2015).

[24]  Hadi, N., Alizadeh, R. and Niaei, A., “Selective production of propylene from methanol over nanosheets of metal-substituted MFI zeolites”, J. Ind. Eng. Chem., In press, (2017).

[25]  Treacy, M. M. and Higgins, J. B., Collection of simulated XRD powder patterns for zeolites, 5th Revised Ed., Elsevier, (2007).

[26]  Alwahabi, S. M. and Froment, G. F., “Single event kinetic modeling of the methanol-to-olefins process on SAPO-34”, Ind. Eng. Chem. Res., 43, 5098 (2004).