Catalytic process modeling and sensitivity analysis of alkylation of benzene with ethanol over MIL-101(Fe) and MIL-88(Fe)

Abstract

A solvothermal method was used to synthesize MIL-101(Fe) and MIL-88(Fe), which were used for alkylation of benzene. The synthesized catalysts were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscope, dynamic light scattering, and BET techniques. Metal-organic frameworks (MOFs) were modeled to investigate the catalytic performance and existence of mass transfer limitations. Calculated effectiveness factors revealed absence of internal and external mass transfer. Sensitivity analysis revealed best operating conditions over MIL-101 at 120°C and 5 bar and over MIL-88 at 142°C and 9 bar.

Key words： MOFs; alkylation; ethylbenzene; catalysts pellet model; kinetic model; sensitivity analysis

Acknowledgements

The authors acknowledge support of Iran Initiative Nanotechnology Council for this project and assistance of the personnel of Instrumental Analysis Laboratory and Central Laboratory of Amirkabir University of Technology (Tehran Polytechnic).

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