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Kinetic modeling of hydrogenolysis of glycerol to 1,2-propanediol using a chromium-free Ni–Cu–SiO2 nanocomposite catalyst

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Abstract

Kinetic modeling of the hydrogenolysis of glycerol was performed; a chromium-free Ni–Cu–SiO2 nanocomposite catalyst was used to produce 1,2-propanediol (1,2-PDO) at a low hydrogen-to-glycerol ratio. Kinetic data were produced in a fixed-bed reactor under a variety of temperatures, hydrogen-to-glycerol ratios, and space velocities. The reaction rates were developed based on the two-step reaction mechanism (the production of 1,2-PDO via acetol) and the reaction pathways for the byproducts observed in the experimental study. The kinetic parameters were estimated by fitting kinetic data, and the validity of the developed model was corroborated. Further analysis using the model showed that the reaction at a high temperature and a low space velocity could accomplish 95% conversion of glycerol; However, the low temperature was preferred to minimize the production of unwanted species (intermediate and byproducts) at the slight expense of conversion.

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Data availability

The datasets in the main manuscript will be presented upon request.

Abbreviations

A t :

Cross-sectional area of the catalytic tube, cm2

c i :

Concentration of species i, mmol/cm3

C P :

Heat capacity, J/(g·K)

C WP :

Dimensionless Weisz-Prater parameter

D t :

Tube diameter, cm

E :

Activation energy, J/mol

F obj :

Objective function

Δ H :

Heat of adsorption, J/mol

Δ H r :

Heat of reaction, J/mol

k :

Forward reaction rate constant

K :

Adsorption equilibrium constant, bar–1

\(\dot{m}\) :

Mass flow rate, g/s

NE :

Number of experimental conditions

NR :

Number of reactions

P :

Partial pressure, bar

R i :

Reaction rate, mmol/(gcat·h)

T :

Temperature, K

U :

Overall heat transfer coefficient, W/(m2·K)

w i :

Weighting factor

calc:

Calculated values

exp:

Experimental data

ref:

Reference

W :

Wall

\(\rho_{B}\) :

Bulk density, g/cm3

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Acknowledgements

This work was supported by the Low-Carbon Chemical Technology Innovation Program for Alternative Fuel from Petroleum (Grant No. RS-2022-00156196) funded by the Ministry of Trade, Industry, and Energy (MOTIE), Republic of Korea.

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Authors and Affiliations

  1. Department of Energy Systems Research, Ajou University, Suwon, 16499, Republic of Korea

    Yesol Woo & Myung-June Park

  2. Green Carbon Research Center, Korea Research Institute of Chemical Technology (KRICT), Daejeon, 34114, Republic of Korea

    Maeum Lee, Seung Hyeok Cha & Dong Won Hwang

  3. Department of Advanced Materials and Chemical Engineering, University of Science and Technology (UST), Daejeon, 34114, Republic of Korea

    Dong Won Hwang

  4. Department of Chemical Engineering, Ajou University, Suwon, 16499, Republic of Korea

    Myung-June Park

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  1. Yesol Woo
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  2. Maeum Lee
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  3. Seung Hyeok Cha
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Correspondence to Myung-June Park.

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Woo, Y., Lee, M., Cha, S.H. et al. Kinetic modeling of hydrogenolysis of glycerol to 1,2-propanediol using a chromium-free Ni–Cu–SiO2 nanocomposite catalyst. Reac Kinet Mech Cat 136, 867–879 (2023). https://doi.org/10.1007/s11144-023-02390-3

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