# Data on the valorization of furfural to γ-valerolactone in liquid-phase continuous-flow over Zr/Sn zeolite-supported catalysts 

### Vittoria Saraceni¹, Anna Saotta¹, Adrián García², Alessandro Allegri¹*, Giuseppe Fornasari¹, Benjamin Solsona², Nikolaos Dimitratos¹*, Stefania Albonetti¹*

Affiliations
¹ Department of Industrial Chemistry, C3-Centre for Chemical Catalysis, CIRI-FRAME, Alma Mater Studiorum – University of Bologna, Via P. Gobetti 85, 40129 Bologna (Italy) 
² Department of Chemical Engineering (ETSE), Universitat de València, Av. Universitat s/n, 46100 Burjassot-Valencia, Spain


Contact person: Stefania Albonetti - stefania.albonetti@unibo.it

Licensing: This dataset is licensed under a **Creative Commons Attribution 4.0 International (CC BY 4.0)** license; http://creativecommons.org/licenses/by/4.0/

Pubblication year: **2025**


## Dataset content

This dataset consists of a .zip compressed file containing the following:

- "characterization" folder containing:
	- "LAS.csv"
	- "poro_SnZr_HY_11_fresh.csv"
	- "poro_SnZr_HY_11_spent.csv"
	- "xrd_SnZr_HY_11.csv"
- "reactions" folder containing:
    - "HY.csv"
    - "SnO2.csv"
    - "ZrO2.csv"
    - "Sn_HY.csv"
    - "Zr_HY.csv"
    - "SnZr_HY_19.csv"
    - "SnZr_HY_11.csv"
    - "SnZr_HY_91.csv"
    - "mechanism" folder containing:
        - "FAL.csv"
        - "FEE.csv"
        - "AnL.csv"
        - "PL.csv"
    - "regeneration" folder containing:
        - "SnZr_HY_91_fresh.csv"
        - "SnZr_HY_91_regenerated.csv"


## File specifics

All csv files are UTF-8 encoded, with comma "," as field delimiter.

## Dataset documentation

### Abstract

The present dataset contains data related to the valorization of furfural to gamma-valerolactone in a liquid-phase continuous-flow reactor. In particular, the effect of different amounts of Sn and Zr impregnated on dealuminated HY zeolite were explored, along with stability and regeneration tests. Data include all the results of the catalytic tests presented and discussed in the article, as well as the raw data of the materials characterization.

### Content of the files:

- folder "reactions" contains all the reaction outcomes, including time on stream, substrate conversions and products selectivities of the different tests presented in the work.
	- the file name indicates the catalyst:
        - "HY" indicates dealuminated HY zeolite;
        - "SnO2" and "ZrO2" represent the zirconium or tin precursors calcined at 500 °C;
        - "Sn_HY", "SnZr_HY_19", "SnZr_HY_11", "SnZr_HY_91", and "Zr_HY" represent the catalysts with a silicon:metal molar ratio of 5, with metal being tin, zirconium or a mixture of the two (either 1:9, 1:1 or 9:1 molar ratio);
	- time on stream is the time in which the catalyst is in contact with the reagent flow, h;  
    - X is the substrate conversion, generally furfural, %; 
    - S_FAL is the furfuryl alcohol selectivity, %;
	- S_FPE is the furfuryl isopropyl ether selectivity, %;
	- S_AnL is the alpha-angelica lactone selectivity, %;
	- S_IPL is the isopropyl levulinate selectivity, %;
	- S_GVL is the gamma valerolactone selectivity, %;
	- Others is the selectivity towards other products not of interest, %;

    - the "mechanism" subfolder includes the results of the mechanism investigation over the Sn:Zr/HY(1:1) catalyst:
        - the file names represent the different substrates used instead of furfural to carry out the reaction:
            - "FAL" stands for furfuryl alcohol;
            - "FEE" stands for furfuryl ethyl ether, the closest commercially available substitute for furfuryl isopropyl ether;
            - "AnL" stands for alpha-angelica lactone;
            - "PL" stands for propyl levulinate, the closest commercially available substitute for isopropyl levulinate;

    - the "regeneration" subfolder includes the results of the stability and regeneration studies on the Sn:Zr/HY (9:1) catalyst:
        - "fresh" stands for the results over the catalyst as-is up to 71 hours on stream;
        - "regenerated" stands for the results over the catalyst after regeneration in static air at 500 °C

    - all reactions were carried out:
        - at 180 °C;
        - with a substrate solution made of 67 mmol/L of furfural and 67 mmol/L water in isopropanol
        - with a contact time of 10 min; 

- folder "characterization" contains the material characterization:
    - file "LAS.csv" contains the Lewis acid sites density of each catalyst presented in the paper, derived from the integration of the FTIR-pyridine profiles, expressed as μmol/g, and gamma valerolactone selectivity, %;
    - files "poro_SnZrHY_11_fresh.csv" and "poro_SnZrHY_11_spent.csv" contain the porosimetry curves of Sn:Zr/HY (1:1) before and after reaction:
        - relative pressures are expressed as ratios to p0;
        - the absorption and desorption reported for each catalyst are the amounts of nitrogen adsorbed, expressed as cm3/g;
        - file "xrd_SnZr_HY_11.csv" contains the powder diffrattograms obtained from Sn:Zr/HY (1:1); bragg_angle is expressed as °2θ; 

### Methods

Specific surface area and pores size and distribution were measured via nitrogen adsorption-desorption porosimetry with a Micromeritics ASAP 2020.
Thermogravimetric Analysis of the samples was carried out using a TA Instruments Q600 TGA instrument, with a 10 °C/min ramp.
Reactions were carried out in a homemade plug flow reactor, placed in an oven. The solution consisting 67 mmol/L of furfural and 67 mmol/L of water in isopropanol was fed with a flow of 0.1 mL/min to 1 mL of catalyst thanks to an HPLC pump. The reactor was heated to 180 °C. The quantification of the reaction mixture composition was carried out via GC-FID.

## Notes

The data are presented and discussed in the paper "Furfural valorisation to γ-valerolactone over Zr/Sn zeolite-supported catalysts in a liquid-phase continuous-flow reactor" by Vittoria Saraceni, Anna Saotta, Adrián García, Alessandro Allegri, Giuseppe Fornasari, Benjamin Solsona, Nikolaos Dimitratos, Stefania Albonetti (submitted)" (DOI: https://doi.org/10.1021/acs.energyfuels.5c05628 )

## Funding

AA acknowledges a research contract funded by a FSE+ 2021-2027 grant according to art. 24, comma 3, lett. a), Legge 240/2010 e s.m.i. e del D.G.R. 693/2023 (RIF. PA: 2023-20090/RER - CUP: J19J23000730002)
The authors also acknowledge the PRIN 2022 PNRR project “Effective Recycling of cellulosic waste from paper industry (REWAMP)”, Code P202282F9N, CUP J53D23014510001, financed by the Piano Nazionale di Ripresa e Resilienza PNRR - Missione 4 – Componente 2 – Investimento 1.1 “Fondo per il Programma Nazionale di Ricerca e Progetti di Rilevante Interesse Nazionale (PRIN)” Bando indetto con D.D. del MUR n. 1409 del 14/09/2022.