{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T21:00:56Z","timestamp":1792184456656,"version":"4.4.0"},"reference-count":101,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2026,3,31]],"date-time":"2026-03-31T00:00:00Z","timestamp":1774915200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The increasing discharge of synthetic dyes into industrial wastewater necessitates sustainable and low-cost treatment strategies. This study valorizes orange seed powder (OSP), an abundant agro-food residue, as a novel biosorbent for Congo red (CR) removal through a combined experimental and molecular simulation approach. Raw OSP was prepared solely by drying and grinding, without chemical activation, emphasizing its practical applicability and environmental sustainability. Physicochemical characterization using FTIR, SEM, and EDX confirmed adsorption-induced structural and compositional changes. Batch experiments evaluated the effects of initial dye concentration, adsorbent dosage, pH, temperature, and contact time. Equilibrium data were well fitted by the Langmuir and Freundlich isotherm models (R2 \u2248 0.99), with a maximum adsorption capacity of 258.39 mg g\u22121 at 25 \u00b0C and pH 4, and a removal efficiency exceeding 99.55%. The adsorption kinetics followed a pseudo-second-order model, while intraparticle diffusion contributed to the rate-controlling mechanism, as indicated by the Weber\u2013Morris model. OSP demonstrated excellent regeneration performance over five adsorption\u2013desorption cycles, retaining more than 96% of its initial CR removal efficiency when regenerated with methanol. Grand Canonical Monte Carlo (GCMC) simulations revealed that adsorption is primarily driven by electrostatic interactions, hydrogen bonding, and \u03c0\u2013\u03c0 stacking interactions, in good agreement with the experimental findings. Overall, raw OSP represents an efficient, regenerable, and sustainable biosorbent, highlighting the originality of integrating experimental investigations with GCMC simulations for wastewater treatment applications.<\/jats:p>","DOI":"10.3390\/molecules31071152","type":"journal-article","created":{"date-parts":[[2026,3,31]],"date-time":"2026-03-31T13:23:17Z","timestamp":1774963397000},"page":"1152","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Orange Seed Powder as a Novel Biosorbent for Congo Red Removal: Adsorption Mechanism, Isotherms, Kinetics, and Molecular Simulations"],"prefix":"10.3390","volume":"31","author":[{"given":"Baali","family":"Souad","sequence":"first","affiliation":[{"name":"Agri-Food Engineering (GENIAAL) Laboratory, Food Process Engineering, Biodiversity and Agro-Environment Team, Institute of Nutrition, Food and Agri-Food Technology (INATAA), Fr\u00e8res Mentouri Constantine 1 University (UFMC1), Constantine 25017, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Baali","family":"Kheira","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering, 20 August 1955 University, P.O. Box 26, Skikda 21000, Algeria"},{"name":"Electromechanical Systems Laboratory (LSELM), Badji Mokhtar University, P.O. Box 12, Annaba 23000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bourzami","family":"Riadh","sequence":"additional","affiliation":[{"name":"Research Unit on Emergent Materials, University of S\u00e9tif 1, Setif 19000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1099-0004","authenticated-orcid":false,"given":"Boudjema","family":"Lotfi","sequence":"additional","affiliation":[{"name":"Research Unit on Emergent Materials, University of S\u00e9tif 1, Setif 19000, Algeria"},{"name":"Department of Chemistry, University College London, 20 Gordon St., London WC1E 6BT, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6003-4673","authenticated-orcid":false,"given":"Laouet","family":"Nadjet","sequence":"additional","affiliation":[{"name":"Mathematical Physics and Subatomic Physics Laboratory (LPMPS), Fr\u00e8res Mentouri Constantine-1 University (UFMC1), Constantine 25017, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0128-0812","authenticated-orcid":false,"given":"Saadi","family":"Sami","sequence":"additional","affiliation":[{"name":"Agri-Food Engineering (GENIAAL) Laboratory, Food Process Engineering, Biodiversity and Agro-Environment Team, Institute of Nutrition, Food and Agri-Food Technology (INATAA), Fr\u00e8res Mentouri Constantine 1 University (UFMC1), Constantine 25017, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1240-2133","authenticated-orcid":false,"given":"Boughellout","family":"Halima","sequence":"additional","affiliation":[{"name":"Agri-Food Engineering (GENIAAL) Laboratory, Food Process Engineering, Biodiversity and Agro-Environment Team, Institute of Nutrition, Food and Agri-Food Technology (INATAA), Fr\u00e8res Mentouri Constantine 1 University (UFMC1), Constantine 25017, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benatallah","family":"Leila","sequence":"additional","affiliation":[{"name":"Agri-Food Engineering (GENIAAL) Laboratory, Food Process Engineering, Biodiversity and Agro-Environment Team, Institute of Nutrition, Food and Agri-Food Technology (INATAA), Fr\u00e8res Mentouri Constantine 1 University (UFMC1), Constantine 25017, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,3,31]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1016\/j.molstruc.2019.05.106","article-title":"Adsorption Kinetic and Isotherms of Reactive Red 120 on Moringa Oleifera Seed as an Eco-Friendly Process","volume":"1195","author":"Bozkurt","year":"2019","journal-title":"J. Mol. Struct."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/j.jhazmat.2005.03.008","article-title":"Decolourization of Aqueous Dye Solutions by a Novel Adsorbent: Application of Statistical Designs and Surface Plots for the Optimization and Regression Analysis","volume":"122","author":"Ravikumar","year":"2005","journal-title":"J. Hazard. Mater."},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"Bharagava, R., Saxena, G., and Mulla, S. (2019). Introduction to Industrial Wastes Containing Organic and Inorganic Pollutants and Bioremediation Approaches for Environmental Management. Bioremediation of Industrial Waste for Environmental Safety: Volume I: Industrial Waste and Its Management, Springer.","DOI":"10.1007\/978-981-13-1891-7_1"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"232","DOI":"10.5004\/dwt.2020.25245","article-title":"Adsorption of Methylene Blue from Effluent Using Golden Mussel (Limnoperna Fortunei) Shell as a Low-Cost Material","volume":"188","author":"Mantovani","year":"2020","journal-title":"Desalin. Water Treat."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"5561","DOI":"10.1002\/cjce.24861","article-title":"Removal of Methylene Blue and Safranin Orange Pollutants from Liquid Effluents by Soy Residue","volume":"101","author":"Natal","year":"2023","journal-title":"Can. J. Chem. Eng."},{"key":"ref_6","unstructured":"Wexler, P. (2014). Dyes and Colorants. Encyclopedia of Toxicology, Academic Press. [3rd ed.]."},{"key":"ref_7","first-page":"29","article-title":"Removal of Congo Red Dye from Aqueous Solutions by a Low-Cost Adsorbent: Activated Carbon Prepared from Aloe Vera Leaves Shell","volume":"4","author":"Shegerd","year":"2017","journal-title":"Environ. Health Eng. Manag. J."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1080\/19443994.2013.785030","article-title":"Process Development for the Removal of Hazardous Anionic Azo Dye Congo Red from Wastewater by Using Hen Feather as Potential Adsorbent","volume":"52","author":"Mittal","year":"2014","journal-title":"Desalin. Water Treat."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"709","DOI":"10.1080\/19443994.2014.947328","article-title":"Removal of Congo Red from Aqueous Solution by Its Sorption onto the Metal Organic Framework MIL-100(Fe): Equilibrium, Kinetic and Thermodynamic Studies","volume":"56","author":"Moradi","year":"2015","journal-title":"Desalin. Water Treat."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1007\/s00706-018-2329-1","article-title":"Removal of Congo Red by Two New Zirconium Metal\u2013Organic Frameworks: Kinetics and Isotherm Study","volume":"150","author":"Farhadi","year":"2019","journal-title":"Monatshefte Chem.-Chem. Mon."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"4676","DOI":"10.1016\/j.jece.2018.06.060","article-title":"Efficiency of Various Recent Wastewater Dye Removal Methods: A Review","volume":"6","author":"Katheresan","year":"2018","journal-title":"J. Environ. Chem. Eng."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/j.jhazmat.2005.04.013","article-title":"Effect of Operating Parameters on Color and COD Removal Performance of SBR: Sludge Age and Initial Dyestuff Concentration","volume":"123","author":"Oztekin","year":"2005","journal-title":"J. Hazard. Mater."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"158","DOI":"10.1016\/j.cej.2009.04.027","article-title":"A New Approach to Optimise an Annular Slurry Photoreactor System for the Degradation of Congo Red: Statistical Analysis and Modelling","volume":"152","author":"Chong","year":"2009","journal-title":"Chem. Eng. J."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/j.ultsonch.2018.02.040","article-title":"Ultrasound Wave Assisted Adsorption of Congo Red Using Gold-Magnetic Nanocomposite Loaded on Activated Carbon: Optimization of Process Parameters","volume":"46","author":"Dil","year":"2018","journal-title":"Ultrason. Sonochem."},{"key":"ref_15","doi-asserted-by":"crossref","unstructured":"Wawrzkiewicz, M., and Hubicki, Z. (2015). Anion Exchange Resins as Effective Sorbents for Removal of Acid, Reactive, and Direct Dyes from Textile Wastewaters. Ion Exchange\u2014Studies and Applications, IntechOpen.","DOI":"10.5772\/60952"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/j.jscs.2010.12.003","article-title":"Removal of Congo Red Dye from Its Aqueous Solution Using Natural Coagulants","volume":"16","author":"Patel","year":"2012","journal-title":"J. Saudi Chem. Soc."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1016\/S1383-5866(02)00200-9","article-title":"Oxidation of Direct Dyes with Hydrogen Peroxide Using Ferrous Ion as Catalyst","volume":"31","author":"Malik","year":"2003","journal-title":"Sep. Purif. Technol."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/j.cej.2005.09.029","article-title":"Adsorption Studies on Treatment of Textile Dyeing Industrial Effluent by Flyash","volume":"116","author":"Rao","year":"2006","journal-title":"Chem. Eng. J."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1002\/elsc.200800088","article-title":"Removal of Synthetic Dyes by an Eco-friendly Strategy","volume":"9","author":"Osma","year":"2009","journal-title":"Eng. Life Sci."},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Ali, A.E., Chowdhury, Z.Z., Devnath, R., Ahmed, M.D.M., Rahman, M.D.M., Khalid, K., Wahab, Y.A., Badruddin, I.A., Kamangar, S., and Hussien, M. (2023). Removal of Azo Dyes from Aqueous Effluent Using Bio-Based Activated Carbons: Toxicity Aspects and Environmental Impact. Separations, 10.","DOI":"10.3390\/separations10090506"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"322","DOI":"10.1016\/j.jcis.2004.08.078","article-title":"Adsorption Isotherm Models for Basic Dye Adsorption by Peat in Single and Binary Component Systems","volume":"280","author":"Allen","year":"2004","journal-title":"J. Colloid Interface Sci."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"127432","DOI":"10.1016\/j.jhazmat.2021.127432","article-title":"Valorization of Food Waste as Adsorbents for Toxic Dye Removal from Contaminated Waters: A Review","volume":"424","author":"Sridhar","year":"2022","journal-title":"J. Hazard. Mater."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"2938","DOI":"10.1016\/j.biortech.2007.06.027","article-title":"Use of Rice Husk for the Adsorption of Congo Red from Aqueous Solution in Column Mode","volume":"99","author":"Han","year":"2008","journal-title":"Bioresour. Technol."},{"key":"ref_24","first-page":"118","article-title":"The Use of an Agricultural Waste Material, Jujuba Seeds for the Removal of Anionic Dye (Congo Red) from Aqueous Medium","volume":"203\u2013204","author":"Reddy","year":"2011","journal-title":"J. Hazard. Mater."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/j.jtice.2012.09.013","article-title":"Kinetic and Equilibrium Studies on the Removal of Congo Red from Aqueous Solution Using Eucalyptus Wood (Eucalyptus globulus) Saw Dust","volume":"44","author":"Mane","year":"2013","journal-title":"J. Taiwan Inst. Chem. Eng."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1016\/j.molliq.2016.04.119","article-title":"Adsorption of Anionic Azo Dye Congo Red from Aqueous Solution by Cationic Modified Orange Peel Powder","volume":"220","author":"Munagapati","year":"2016","journal-title":"J. Mol. Liq."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.cej.2011.10.024","article-title":"Congo Red Adsorption by Ball-Milled Sugarcane Bagasse","volume":"178","author":"Zhang","year":"2011","journal-title":"Chem. Eng. J."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"16530","DOI":"10.1038\/s41598-019-53046-z","article-title":"Adsorption of an Anionic Dye (Congo Red) from Aqueous Solutions by Pine Bark","volume":"9","author":"Litefti","year":"2019","journal-title":"Sci. Rep."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"170","DOI":"10.3390\/agriculture3010170","article-title":"Potential Nutritional Benefits of Current Citrus Consumption","volume":"3","author":"Turner","year":"2013","journal-title":"Agriculture"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"11514","DOI":"10.1007\/s11356-017-1160-2","article-title":"Development of a New Adsorbent from Pumpkin Husk by KOH-Modification to Remove Copper Ions","volume":"26","author":"Bozkurt","year":"2019","journal-title":"Environ. Sci. Pollut. Res."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"29070","DOI":"10.1080\/19443994.2016.1196392","article-title":"Valorization of Food Wastes (Orange Seeds) as Adsorbent for Dye Retention from Aqueous Medium","volume":"57","author":"Suteu","year":"2016","journal-title":"Desalin. Water Treat."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"4104","DOI":"10.3390\/w14244104","article-title":"Efficient Dye Removal from Real Textile Wastewater Using Orange Seed Powder as Suitable Bio-Adsorbent and Membrane Technology","volume":"14","year":"2022","journal-title":"Water"},{"key":"ref_33","doi-asserted-by":"crossref","unstructured":"Tahira, M., Batool, F., Noreen, S., Mustaqeem, M., Munawar, K.S., Kanwal, S., Shahbaz, K., Arshad, A., and Ali, H.M. (2024). Unlocking the Potential of De-Oiled Seeds of Citrus Sinensis Loaded with Metal Nanoparticles for Congo Red Degradation and Removal: A Green Water Treatment Strategy with Bibliometric Analysis. Front. Sustain. Food Syst., 8.","DOI":"10.3389\/fsufs.2024.1430624"},{"key":"ref_34","doi-asserted-by":"crossref","unstructured":"Gamboa, D.M., Abatal, M., Lima, E., Franseschi, F.A., Uc\u00e1n, C.A., Tariq, R., El\u00edas, M.A., and Vargas, J. (2024). Sorption Behavior of Azo Dye Congo Red onto Activated Biochar from Haematoxylum Campechianum Waste: Gradient Boosting Machine Learning-Assisted Bayesian Optimization for Improved Adsorption Process. Int. J. Mol. Sci., 25.","DOI":"10.3390\/ijms25094771"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"13845","DOI":"10.1007\/s13762-023-04986-7","article-title":"Biosorption of Congo Red Dye Removal from Aqueous Solution Using Fennel Seed Spent and Garlic Peel","volume":"20","author":"Abbas","year":"2023","journal-title":"Int. J. Environ. Sci. Technol."},{"key":"ref_36","doi-asserted-by":"crossref","unstructured":"Han, X., Li, R., Miao, P., Gao, J., Hu, G., Zhao, Y., and Chen, T. (2022). Design, Synthesis and Adsorption Evaluation of Bio-Based Lignin\/Chitosan Beads for Congo Red Removal. Materials, 15.","DOI":"10.3390\/ma15062310"},{"key":"ref_37","doi-asserted-by":"crossref","unstructured":"Su, W., Li, P., Wang, M., Yi, D., Jiang, B., and Wu, W. (2023). Simple Preparation of Lignin-Based Phenolic Resin Carbon and Its Efficient Adsorption of Congo Red. Water, 15.","DOI":"10.3390\/w15152777"},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"130463","DOI":"10.1016\/j.chemosphere.2021.130463","article-title":"Azo-Dye Derived Oxidized-Nitrogen Rich Carbon Sheets with High Adsorption Capability for Dye Effluent under Both Batch and Continuous Conditions","volume":"279","author":"Mengesha","year":"2021","journal-title":"Chemosphere"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1023\/A:1008153228280","article-title":"Chemical Composition and Selected Functional Properties of Sweet Orange (Citrus sinensis) Seed Flour","volume":"54","author":"Akpata","year":"1999","journal-title":"Plant Foods Hum. Nutr."},{"key":"ref_40","first-page":"3777","article-title":"Physicochemical and Nutritive Characteristics of the Residues Deriving from the Oranges (Citrus sinensis L.) Consumed in C\u00f4te d\u2019Ivoire","volume":"58","author":"Lagou","year":"2018","journal-title":"J. New Sci."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"4511","DOI":"10.1007\/s13399-022-02741-5","article-title":"A Comprehensive Review on Application of Plant-Based Bioadsorbents for Congo Red Removal","volume":"14","author":"Manzoor","year":"2024","journal-title":"Biomass Convers. Biorefin."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1016\/j.molliq.2016.03.020","article-title":"Removal of Congo Red Dye from Aqueous System Using Phoenix Dactylifera Seeds","volume":"219","author":"Pathania","year":"2016","journal-title":"J. Mol. Liq."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1016\/S0143-7208(02)00025-6","article-title":"Removal of Congo Red from Water by Adsorption onto Activated Carbon Prepared from Coir Pith, an Agricultural Solid Waste","volume":"54","author":"Namasivayam","year":"2002","journal-title":"Dye. Pigment."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"1628","DOI":"10.1016\/j.apsusc.2010.08.111","article-title":"Adsorptive Removal of Congo Red Dye from Aqueous Solution Using Bael Shell Carbon","volume":"257","author":"Ahmad","year":"2010","journal-title":"Appl. Surf. Sci."},{"key":"ref_45","doi-asserted-by":"crossref","unstructured":"Kapoor, R.T., Rafatullah, M., Tajarudin, H.A., Siddiqui, M.R., and Alam, M. (2023). Treatment of Direct Red 28 Dye through Phoenix dactylifera L. Fruit Seed Biochar: Equilibrium, Kinetics, Thermodynamics, and Phytotoxicity Studies. Sustainability, 15.","DOI":"10.3390\/su152115266"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/j.enceco.2020.01.004","article-title":"Kinetic and Equilibrium Studies of Congo Red Dye Adsorption on Cabbage Waste Powder","volume":"2","author":"Wekoye","year":"2020","journal-title":"Environ. Chem. Ecotoxicol."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"628582","DOI":"10.1155\/2013\/628582","article-title":"Adsorption Kinetics for the Removal of Hazardous Dye Congo Red by Biowaste Materials as Adsorbents","volume":"2013","author":"Kaur","year":"2013","journal-title":"J. Chem."},{"key":"ref_48","doi-asserted-by":"crossref","unstructured":"El Mansouri, F., El Farissi, H., Zerrouk, M., Cacciola, F., Bakkali, C., Brigui, J., Lovillo, M., and Silva, J. (2021). Dye Removal from Colored Textile Wastewater Using Seeds and Biochar of Barley (Hordeum vulgare L.). Appl. Sci., 11.","DOI":"10.3390\/app11115125"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"502","DOI":"10.1016\/j.jhazmat.2008.08.021","article-title":"Removal of Tartrazine from Aqueous Solutions by Strongly Basic Polystyrene Anion Exchange Resins","volume":"164","author":"Wawrzkiewicz","year":"2009","journal-title":"J. Hazard. Mater."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"S1629","DOI":"10.1016\/j.arabjc.2013.06.005","article-title":"Adsorption Characteristics for the Removal of a Toxic Dye, Tartrazine from Aqueous Solutions by a Low Cost Agricultural By-Product","volume":"10","author":"Banerjee","year":"2017","journal-title":"Arab. J. Chem."},{"key":"ref_51","first-page":"e00116","article-title":"Adsorption of Toxic Crystal Violet Dye Using Coffee Husks: Equilibrium, Kinetics and Thermodynamics Study","volume":"5","author":"Cheruiyot","year":"2019","journal-title":"Sci. Afr."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"1825","DOI":"10.1007\/s13399-022-02354-y","article-title":"Biosorption of Basic Red 46 Using Raw Cactus Fruit Peels: Equilibrium, Kinetic and Thermodynamic Studies","volume":"14","author":"Akkari","year":"2022","journal-title":"Biomass Convers. Biorefin."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"58","DOI":"10.1080\/02757540.2012.686606","article-title":"Ackee Apple (Blighia sapida) Seeds: A Novel Adsorbent for the Removal of Congo Red Dye from Aqueous Solutions","volume":"29","author":"Bello","year":"2012","journal-title":"Chem. Ecol."},{"key":"ref_54","first-page":"581","article-title":"Rice Husk Ash as a Low Cost Adsorbent for the Removal of Methylene Blue and Congo Red in Aqueous Phases","volume":"37","author":"Chowdhury","year":"2009","journal-title":"Clean"},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/j.jenvman.2004.03.002","article-title":"Azadirachta Indica Leaf Powder as an Effective Biosorbent for Dyes: A Case Study with Aqueous Congo Red Solutions","volume":"71","author":"Bhattacharyya","year":"2004","journal-title":"J. Environ. Manag."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"1361","DOI":"10.1021\/ja02242a004","article-title":"The adsorption of gases on plane surfaces of glass, mica and platinum","volume":"40","author":"Langmuir","year":"1918","journal-title":"J. Am. Chem. Soc."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/j.molliq.2015.09.006","article-title":"Synthesis of Bimetallic Fe-Zn Nanoparticles and Its Application towards Adsorptive Removal of Carcinogenic Dye Malachite Green and Congo Red in Water","volume":"212","author":"Gautam","year":"2015","journal-title":"J. Mol. Liq."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"101176","DOI":"10.1016\/j.jscs.2020.101176","article-title":"Effective Sequestration of Congo Red Dye with ZnO\/Cotton Stalks Biochar Nanocomposite: MODELING, Reusability and Stability","volume":"25","author":"Iqbal","year":"2021","journal-title":"J. Saudi Chem. Soc."},{"key":"ref_59","first-page":"1100","article-title":"Over the Adsorption in Solution","volume":"57","author":"Freundlich","year":"1906","journal-title":"J. Phys. Chem."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.cej.2009.09.013","article-title":"Insights into the Modeling of Adsorption Isotherm Systems","volume":"156","author":"Foo","year":"2010","journal-title":"Chem. Eng. J."},{"key":"ref_61","first-page":"11","article-title":"Modelling and Interpretation of Adsorption Isotherms","volume":"2017","author":"Ayawei","year":"2017","journal-title":"Hindawi J. Chem."},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1080\/02772248.2014.959017","article-title":"Removal of Congo Red and Basic Violet 1 by Chir Pine (Pinus roxburghii) Sawdust, a Saw Mill Waste: Batch and Column Studies","volume":"96","author":"Khan","year":"2014","journal-title":"Toxicol. Environ. Chem."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"2976","DOI":"10.1080\/19443994.2014.966276","article-title":"Rubber Seeds (Hevea brasiliensis): An Adsorbent for Adsorption of Congo Red from Aqueous Solution","volume":"56","author":"Zulfikar","year":"2014","journal-title":"Desalin. Water Treat."},{"key":"ref_64","first-page":"1","article-title":"About the Theory of So Called Adsorption of Soluble Substances","volume":"24","author":"Lagergren","year":"1898","journal-title":"K. Sven. Vetenskapsakademiens Handl."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1016\/S0032-9592(98)00112-5","article-title":"Pseudo-Second Order Model for Sorption Processes","volume":"34","author":"Ho","year":"1999","journal-title":"Process Biochem."},{"key":"ref_66","doi-asserted-by":"crossref","first-page":"2081","DOI":"10.1016\/S0043-1354(02)00540-7","article-title":"Kinetics of a Reactive Dye Adsorption onto Dolomitic Sorbents","volume":"37","author":"Walker","year":"2003","journal-title":"Water Res."},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1016\/j.colsurfa.2005.07.016","article-title":"Adsorptive Removal of Phenol by Bagasse Fly Ash and Activated Carbon: Equilibrium, Kinetics and Thermodynamics","volume":"272","author":"Srivastava","year":"2006","journal-title":"Colloids Surf. A Physicochem. Eng. Asp."},{"key":"ref_68","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1016\/j.progpolymsci.2007.11.001","article-title":"Application of Chitosan, a Natural Aminopolysaccharide, for Dye Removal from Aqueous Solutions by Adsorption Processes Using Batch Studies: A Review of Recent Literature","volume":"33","author":"Crini","year":"2008","journal-title":"Prog. Polym. Sci."},{"key":"ref_69","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1016\/j.cej.2010.08.050","article-title":"Sea Shell Powder as a New Adsorbent to Remove Basic Green 4 (Malachite Green) from Aqueous Solutions: Equilibrium, Kinetic and Thermodynamic Studies","volume":"164","author":"Chowdhury","year":"2010","journal-title":"Chem. Eng. J."},{"key":"ref_70","first-page":"14665","article-title":"Kinetic Study of Blue M-EB Dye Sorption on Ion Exchange ResinsKinetics Studies on the Adsorption Behaviour of Basic Blue 9 Dye on Macroporous Ion Exchanger Resins","volume":"57","author":"Zaharia","year":"2015","journal-title":"Desalin. Water Treat."},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"12198","DOI":"10.1038\/s41598-017-12424-1","article-title":"Equilibrium, Kinetic and Thermodynamic Study of Removal of Eosin Yellow from Aqueous Solution Using Teak Leaf Litter Powder","volume":"7","author":"Oyelude","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_72","doi-asserted-by":"crossref","unstructured":"\u0160oli\u0107, M., Maleti\u0107, S., Kragulj Isakovski, M., Niki\u0107, J., Watson, M., K\u00f3nya, Z., and Tri\u010dkovi\u0107, J. (2020). Comparing the Adsorption Performance of Multiwalled Carbon Nanotubes Oxidized by Varying Degrees for Removal of Low Levels of Copper, Nickel and Chromium (VI) from Aqueous Solutions. Water, 12.","DOI":"10.3390\/w12030723"},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"805","DOI":"10.1016\/j.molliq.2017.11.082","article-title":"Synthesis of Guar Gum\/Bentonite a Novel Bionanocomposite: Isotherms, Kinetics and Thermodynamic Studies for the Removal of Pb (II) and Crystal Violet Dye","volume":"249","author":"Ahmad","year":"2018","journal-title":"J. Mol. Liq."},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1016\/j.powtec.2016.08.044","article-title":"Dual Function Magnetic Hydroxyapatite Nanopowder for Removal of Malachite Green and Congo Red from Aqueous Solution","volume":"302","author":"Zhang","year":"2016","journal-title":"Powder Technol."},{"key":"ref_75","doi-asserted-by":"crossref","unstructured":"Rojas, R., Repetto, G., Morillo, J., and Usero, J. (2022). Sorption\/Desorption and Kinetics of Atrazine, Chlorfenvinphos, Endosulfan Sulfate and Trifluralin on Agro-Industrial and Composted Organic Wastes. Toxics, 10.","DOI":"10.3390\/toxics10020085"},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"16454","DOI":"10.1038\/s41598-021-95090-8","article-title":"Two\u2013Three Parameters Isotherm Modeling, Kinetics with Statistical Validity, Desorption and Thermodynamic Studies of Adsorption of Cu(II) Ions onto Zerovalent Iron Nanoparticles","volume":"11","author":"Dada","year":"2021","journal-title":"Sci. Rep."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1016\/j.colsurfa.2005.06.064","article-title":"Equilibrium and Kinetic Studies on the Adsorption of Surfactant, Organic Acids and Dyes from Water onto Natural Biopolymers","volume":"269","author":"Chang","year":"2005","journal-title":"Colloids Surf. A Physicochem. Eng. Asp."},{"key":"ref_78","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/j.arabjc.2011.01.016","article-title":"Removal of Toxic Chromium from Aqueous Solution, Wastewater and Saline Water by Marine Red Alga Pterocladia Capillacea and Its Activated Carbon","volume":"8","author":"Khaled","year":"2015","journal-title":"Arab. J. Chem."},{"key":"ref_79","doi-asserted-by":"crossref","first-page":"884","DOI":"10.1016\/j.jece.2017.01.012","article-title":"Removal of Orange G and Rhodamine B Dyes from Aqueous System Using Hydrothermally Synthesized Zinc Oxide Loaded Activated Carbon (ZnO-AC)","volume":"5","author":"Saini","year":"2017","journal-title":"J. Environ. Chem. Eng."},{"key":"ref_80","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1016\/j.jhazmat.2006.11.021","article-title":"Removal of Congo Red Using Activated Carbon and Its Regeneration","volume":"145","author":"Purkait","year":"2007","journal-title":"J. Hazard. Mater."},{"key":"ref_81","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1016\/j.clay.2013.06.008","article-title":"Caprylate Intercalated Layered Double Hydroxide as Adsorbent of the Linuron, 2,4-DB and Metamitron Pesticides from Aqueous Solution","volume":"80\u201381","author":"Pavlovic","year":"2013","journal-title":"Appl. Clay Sci."},{"key":"ref_82","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1080\/19443994.2013.784879","article-title":"Potential Use of Shell Biomass (Juglans regia L.) for Dye Removal: Relationships between Kinetic Pseudo-Second-Order Model Parameters and Biosorption Efficiency","volume":"52","author":"Deniz","year":"2014","journal-title":"Desalin. Water Treat."},{"key":"ref_83","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/j.desal.2010.07.047","article-title":"Adsorption Thermodynamics, Kinetics and Isosteric Heat of Adsorption of Malachite Green onto Chemically Modified Rice Husk","volume":"265","author":"Chowdhury","year":"2011","journal-title":"Desalin."},{"key":"ref_84","doi-asserted-by":"crossref","unstructured":"Hasani, N., Selimi, T., Mele, A., Tha\u00e7i, V., Halili, J., Berisha, A., and Sadiku, M. (2022). Theoretical, Equilibrium, Kinetics and Thermodynamic Investigations of Methylene Blue Adsorption onto Lignite Coal. Molecules, 26.","DOI":"10.3390\/molecules27061856"},{"key":"ref_85","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1351\/pac198557040603","article-title":"Reporting Physisorption Data for Gas\/Solid Systems with Special Reference to the Determination of Surface Area and Porosity (Recommendations 1984)","volume":"57","author":"Sing","year":"1985","journal-title":"Pure Appl. Chem."},{"key":"ref_86","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1023\/A:1015551413378","article-title":"Adsorption of Congo Red on Various Activated Carbons. A Comparative Study","volume":"138","author":"Kannan","year":"2002","journal-title":"Water Air Soil Pollut."},{"key":"ref_87","doi-asserted-by":"crossref","first-page":"109930","DOI":"10.1016\/j.diamond.2023.109930","article-title":"Adsorption Enhancement of Congo Red Dye from Wastewater Based on Edamame Shell Originated Activated Carbon by the Cations: Experimental and Theoretical Studies","volume":"136","author":"He","year":"2023","journal-title":"Diam. Relat. Mater."},{"key":"ref_88","doi-asserted-by":"crossref","first-page":"4302","DOI":"10.1002\/pol.20240107","article-title":"Congo Red Removal from Aqueous Solution via Biosorption onto Trametes trogii-Loaded Poly(Hydroxyethyl Methacrylate) Cryogel","volume":"62","author":"Kopar","year":"2024","journal-title":"J. Polym. Sci."},{"key":"ref_89","doi-asserted-by":"crossref","first-page":"467","DOI":"10.1080\/09593330.2011.572922","article-title":"Fungal Biosorption\u2013An Alternative to Meet the Challenges of Heavy Metal Pollution in Aqueous Solutions","volume":"32","author":"Dhankhar","year":"2011","journal-title":"Environ. Technol."},{"key":"ref_90","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1038\/s41545-022-00172-3","article-title":"A Comprehensive Review on the Chemical Regeneration of Biochar Adsorbent for Sustainable Wastewater Treatment","volume":"5","author":"Alsawy","year":"2022","journal-title":"npj Clean Water"},{"key":"ref_91","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1021\/acsengineeringau.3c00022","article-title":"Desorption Strategies and Reusability of Biopolymeric Adsorbents and Semisynthetic Derivatives in Hydrogel and Hydrogel Composites Used in Adsorption Processes","volume":"3","author":"Prasher","year":"2023","journal-title":"ACS Eng. Au"},{"key":"ref_92","first-page":"5805","article-title":"Composition and Functional Properties of Citrus Seeds","volume":"59","author":"Smith","year":"2011","journal-title":"J. Agric. Food Chem."},{"key":"ref_93","doi-asserted-by":"crossref","first-page":"2102","DOI":"10.3989\/gya.1204232.2102","article-title":"Exploration of the Biochemical Composition of Citrus L. Seeds for Industrial Applications","volume":"75","author":"Budianto","year":"2024","journal-title":"Grasas Aceites"},{"key":"ref_94","doi-asserted-by":"crossref","first-page":"4842","DOI":"10.1021\/acs.macromol.3c02577","article-title":"Molecular Dynamics Simulation of In Situ Polymerization: Chain Conformation Transition","volume":"57","author":"Chen","year":"2024","journal-title":"Macromolecules"},{"key":"ref_95","doi-asserted-by":"crossref","unstructured":"Vergadou, N., and Theodorou, D.N. (2019). Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers. Membranes, 9.","DOI":"10.3390\/membranes9080098"},{"key":"ref_96","doi-asserted-by":"crossref","first-page":"7756","DOI":"10.1063\/1.1316015","article-title":"From Molecules to Solids with the DMol3 Approach","volume":"113","author":"Delley","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref_97","doi-asserted-by":"crossref","first-page":"8897","DOI":"10.1021\/j100389a010","article-title":"DREIDING: A Generic Force Field for Molecular Simulations","volume":"94","author":"Mayo","year":"1990","journal-title":"J. Phys. Chem."},{"key":"ref_98","doi-asserted-by":"crossref","unstructured":"Allen, M.P., and Tildesley, D.J. (2017). Computer Simulation of Liquids, Oxford University Press.","DOI":"10.1093\/oso\/9780198803195.001.0001"},{"key":"ref_99","doi-asserted-by":"crossref","first-page":"234505","DOI":"10.1063\/1.2121687","article-title":"A General Purpose Model for the Condensed Phases of Water: TIP4P\/2005","volume":"123","author":"Abascal","year":"2006","journal-title":"J. Chem. Phys."},{"key":"ref_100","doi-asserted-by":"crossref","first-page":"1688","DOI":"10.1021\/la0523816","article-title":"Optimum Conditions for Adsorptive Storage","volume":"22","author":"Bhatia","year":"2006","journal-title":"Langmuir"},{"key":"ref_101","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1002\/andp.19213690304","article-title":"Die Berechnung Optischer Und Elektrostatischer Gitterpotentiale","volume":"369","author":"Ewald","year":"1921","journal-title":"Ann. Phys."}],"container-title":["Molecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1420-3049\/31\/7\/1152\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,31]],"date-time":"2026-03-31T13:24:20Z","timestamp":1774963460000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1420-3049\/31\/7\/1152"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,3,31]]},"references-count":101,"journal-issue":{"issue":"7","published-online":{"date-parts":[[2026,4]]}},"alternative-id":["molecules31071152"],"URL":"https:\/\/doi.org\/10.3390\/molecules31071152","relation":{},"ISSN":["1420-3049"],"issn-type":[{"value":"1420-3049","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,3,31]]}}}