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Synthesis of propyl acetate by sulfated zirconia: kinetics and mechanism modeling

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Abstract

In this study, the kinetics of the esterification of acetic acid and n-propanol catalyzed by sulfated zirconia was investigated for the first time. The effect of different temperatures (60–80 °C), n-propanol to acetic acid molar ratios (1:1–3:1), catalyst loadings (5–10 wt%), and external and internal mass transfers on the acetic acid conversions was evaluated in a batch reactor. The pseudo-homogeneous, Langmuir–Hinshelwood, and Eley–Rideal models were adjusted to the experimental data to determine the reaction mechanism. The reusability and performance of the catalyst were also reported. The results demonstrated that increasing temperature, reactants molar ratio, and catalyst loadings positively affected the formation of propyl acetate. The Eley–Rideal with acetic acid adsorbed model presented the most suitable fit, suggesting that the surface reaction at the catalyst acid sites was the limiting step in the reaction mechanism. The estimated enthalpy of the reaction indicated a slightly endothermic process. The reusability of the catalyst showed a loss of activity after successive reaction cycles. The sulfated zirconia catalyst was effective for the studied esterification reaction.

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Acknowledgements

The authors thank the Conselho Nacional de Desenvolvimento Científico e Tecnológico—Brasil (CNPq) (Grant/award number: 1688/2018)—for the financial support and the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior—Brasil (CAPES)—Finance Code 001 for the scholarship support.

Funding

This work was supported by the Coordination for the Improvement of Higher Education Personnel (CAPES) and the National Council for Scientific and Technological Development (CNPq) (Grant/Award Numbers: 1688/2018).

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Authors and Affiliations

  1. Graduate Program of Food Engineering, Federal University of Paraná, Coronel Francisco H. Dos Santos Ave., 100, Curitiba, PR, 81531-980, Brazil

    Geovana Silva Marques, Luíza Helena Pinto Domingues, Giovana Gonçalves Dusi & Vítor Renan da Silva

  2. Chemical Engineering Department, Federal University of Paraná, Coronel Francisco H. Dos Santos Ave., 100, Curitiba, PR, 81531-980, Brazil

    Vinícius Fitz Bregenski

  3. Graduate Program of Chemical Engineering, Federal University of Paraná, Coronel Francisco H. Dos Santos Ave., 100, Curitiba, PR, 81531-980, Brazil

    Fabiane Hamerski

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  1. Geovana Silva Marques
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Contributions

All authors contributed to the study conception and design. Material preparation, data collection and analysis were performed by GSM, VFB, GGD, LHPD, FH, and VRdS. The first draft of the manuscript was written by VRdS and GSM and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

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Correspondence to Geovana Silva Marques.

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Marques, G.S., Domingues, L.H.P., Fitz Bregenski, V. et al. Synthesis of propyl acetate by sulfated zirconia: kinetics and mechanism modeling. Reac Kinet Mech Cat 136, 397–414 (2023). https://doi.org/10.1007/s11144-023-02353-8

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