AI-Assisted Screening and Experimental Evaluation of Chelating Agents for Oxygen-Reinforced Alkaline Peroxide Bleaching of Eucalyptus Kraft Pulp
DOI:
https://doi.org/10.33736/jaspe.14408.2026Keywords:
Artificial intelligence, Chelating agents, Chemical screening, Hydrogen peroxide bleaching, Eucalyptus kraft pulpAbstract
Artificial intelligence (AI)-assisted evidence screening was employed as a decision-support approach to prioritize chelating agents for oxygen-reinforced alkaline peroxide (EOP) bleaching of eucalyptus kraft pulp. Candidate agents were assessed using predefined technical, environmental, and practical criteria, and AI-generated information was verified against relevant literature and researcher assessment prior to experimental evaluation. Ethylenediaminetetraacetic acid (EDTA) served as the industrial reference, while diethylenetriaminepentaacetic acid (DTPA), ethylenediamine-N,N′-disuccinic acid (EDDS), and 1-hydroxyethylidene-1,1-diphosphonic acid (HEDP) were evaluated as alternative chelating agents. During preliminary screening, DTPA produced the highest mean ISO brightness and lowest mean Kappa number, whereas EDDS produced the highest mean pulp viscosity. Subsequent dosage evaluation identified 0.02–0.03% DTPA on an oven-dry pulp basis as the preferred range, providing a favorable balance among ISO brightness, Kappa number, pulp viscosity, and chelant dosage under the investigated conditions. At an identical dosage of 0.05%, DTPA and EDTA produced comparable observed bleaching responses. Overall, DTPA was identified as the most promising alternative among the chelating agents evaluated. The findings demonstrate the potential value of integrating AI-assisted evidence screening with literature verification, researcher-led assessment, and experimental evaluation as a structured approach for candidate prioritization in pulp-bleaching research.
References
Brogdon, B. N., & Hart, P. W. (2012a). Extraction and oxidative extraction. In P. W. Hart & A. W. Rudie (Eds.), The bleaching of pulp (5th ed., Chapter 4). TAPPI Press.
Brogdon, B. N., & Hart, P. W. (2012b). Peroxide bleaching. In P. W. Hart & A. W. Rudie (Eds.), The bleaching of pulp (5th ed., Chapter 10). TAPPI Press.
Butler, K. T., Davies, D. W., Cartwright, H., Isayev, O., & Walsh, A. (2018). Machine learning for molecular and materials science. Nature, 559(7715), 547–555. https://doi.org/10.1038/s41586-018-0337-2
Firmanda, A., Nurhayati, R. W., Fahma, F., Cognet, P., Namhaed, K., Hermansyah, H., Sahlan, M., Hidayatullah, I. M., Lischer, K., & Gozan, M. (2026). Efficient H₂O₂-system for fiber delignification-bleaching and its environmental impact. Discover Materials, 6(1), Article 66. https://doi.org/10.1007/s43939-025-00527-w
Goto, T., Zaccaron, S., Hettegger, H., Bischof, R. H., Fackler, K., Potthast, A., & Rosenau, T. (2023). Evaluating chelating agents and their effects on cellulosic pulps during P-stage bleaching. Part 1: Analytical method development. Cellulose, 30(6), 3887–3900. https://doi.org/10.1007/s10570-023-05110-1
Hosseinpour, R., Jahan Latibari, A., & Fatehi, P. (2014). Hydrogen peroxide bleaching of canola straw chemimechanical pulp. BioResources, 9(1), 1201–1211. https://doi.org/10.15376/biores.9.1.1201-1211
Hui, L., Wang, F., Pang, J., & Liu, Z. (2017). Understanding of HEDP used as chelator in pulp bleaching. Cellulose Chemistry and Technology, 51(3–4), 301–306.
Jaworska, J. S., Schowanek, D., & Feijtel, T. C. J. (1999). Environmental risk assessment for trisodium [S,S]-ethylene diamine disuccinate, a biodegradable chelator used in detergent applications. Chemosphere, 38(15), 3597–3625. https://doi.org/10.1016/S0045-6535(98)00573-6
Kalyoncu, E. E., Kirci, H., & Peşman, E. (2023). Evaluating suitable chelating agents for Q stage in TCF bleaching of wheat straw alkaline pulps. Cellulose Chemistry and Technology, 57(7–8), 831–841. https://doi.org/10.35812/CelluloseChemTechnol.2023.57.73
Knepper, T. P. (2003). Synthetic chelating agents and compounds exhibiting complexing properties in the aquatic environment. Trends in Analytical Chemistry, 22(10), 708–724. https://doi.org/10.1016/S0165-9936(03)01008-2
Martell, A. E., & Smith, R. M. (1974–1989). Critical stability constants (Vols. 1–6). Plenum Press.
More, A., Elder, T., & Jiang, Z. (2021). A review of lignin hydrogen peroxide oxidation chemistry with emphasis on aromatic aldehydes and acids. Holzforschung, 75(9), 806–823. https://doi.org/10.1515/hf-2020-0165
Pinto, I. S. S., Ascenso, O. S., Barros, M. T., & Soares, H. M. V. M. (2015). Pre-treatment of the paper pulp in the bleaching process using biodegradable chelating agents. International Journal of Environmental Science and Technology, 12(3), 975–982. https://doi.org/10.1007/s13762-013-0480-0
Smith, R. M., Martell, A. E., & Motekaitis, R. J. (2004). NIST critically selected stability constants of metal complexes database (NIST Standard Reference Database No. 46, Version 8.0). National Institute of Standards and Technology. https://doi.org/10.18434/M32154
Vandevivere, P. C., Saveyn, H., Verstraete, W., Feijtel, T. C. J., & Schowanek, D. R. (2001). Biodegradation of metal-[S,S]-EDDS complexes. Environmental Science & Technology, 35(9), 1765–1770. https://doi.org/10.1021/es0001153
Vaysi, R., & Kord, B. (2013). The effects of H₂O₂ bleaching and DTPA spraying on the brightness stability of hornbeam CMP pulp following accelerated irradiation aging. BioResources, 8(2), 1909–1917. https://doi.org/10.15376/biores.8.2.1909-1917
Vera-Loor, A., Rigou, P., Mortha, G., & Marlin, N. (2023). Oxidation treatments using hydrogen peroxide to convert paper-grade eucalyptus kraft pulp into dissolving-grade pulp. Molecules, 28(23), 7927. https://doi.org/10.3390/molecules28237927
Almeida, N., Meyer, V., Burnet, A., Boucher, J., Talens-Perales, D., Pereira, S., Ihalainen, P., Levée, T., Polaina, J., Petit-Conil, M., Camarero, S., & Pinto, P. (2022). Use of a novel extremophilic xylanase for an environmentally friendly industrial bleaching of kraft pulps. International Journal of Molecular Sciences, 23(21), 13423. https://doi.org/10.3390/ijms232113423
Danielewicz, D. (2023). The effect of treating pine regular kraft pulp with peracetic acid before O₂-delignification on the consumption of ClO₂ in D₀ED₁ bleaching. BioResources, 18(2), 2746–2755. https://doi.org/10.15376/biores.18.2.2746-2755
Lee, H. S., Kim, K.-J., & Seo, J.-H. (2025). Improving bleachability of thermomechanical pulp by ozone–hydrogen peroxide system. BioResources, 20(1), 923–933. https://doi.org/10.15376/biores.20.1.923-933
Sjöström, J., Lindström, M. E., Vikström, T., Esteves, C. V., Henriksson, G., & Sevastyanova, O. (2025). On the nature of the selectivity of oxygen delignification. Nordic Pulp & Paper Research Journal, 40(1), 61–69. https://doi.org/10.1515/npprj-2024-0026
Danielewicz, D. (2024). Effect of treating birch kraft pulp with peracetic acid before O₂-delignification on the properties of pulp and consumption of ClO₂ in D₀ED₁ bleaching. BioResources, 19(4), 8668–8678. https://doi.org/10.15376/biores.19.4.8668-8678
Senthilkumar, E. R., Sjöström, J., Henriksson, G., Vikström, T., & Sevastyanova, O. (2025). Effect of storage conditions on the brownstock washing and oxygen delignification of kraft pulps. Cellulose, 32, 2567–2579. https://doi.org/10.1007/s10570-025-06396-z
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