Journal of Molecular Liquids最新文献

{"title":"Optimized polymer systems for low-temperature stimulation of gas hydrate-bearing sediments","authors":"Isaac Wilson,&nbsp;Shanker Krishna","doi":"10.1016/j.molliq.2025.127839","DOIUrl":"10.1016/j.molliq.2025.127839","url":null,"abstract":"<div><div>Production from gas hydrate reserves has been limited by the low permeability of hydrate-bearing sediments (HBS). While techniques like multi-well drilling and horizontal wells have improved reservoir access, enhancing reservoir conductivity through hydraulic fracturing is a promising next step. This study evaluates the compatibility of conventional linear and crosslinked gels with polysaccharides and synthetic polymer-based gas hydrate inhibitors for low-temperature stimulation. Established inhibitors like xanthan gum (XG), pectin, and polyvinylpyrrolidone (PVP) were tested in varying concentrations with guar gum (GG) and borate crosslinked gels. XG integrated linear gels exhibited significantly improved rheological performance, with viscosity increases ranging from 30 % to 90 % and viscoelastic enhancements between 90 % and 200 %, particularly under low-temperature conditions. These improvements can be attributed to synergy between XG and GG. Pure pectin gels exhibited a substantial, though disproportionate, increase in viscosity at low temperatures (up to 407 % at 5 °C) compared to ambient conditions. However, the addition of GG was necessary to improve elasticity and ensure stability. The incorporation of GG into the pectin matrix significantly enhanced both the viscous and elastic characteristics of the gel. The work also underscores the limitations of pectin in crosslinked systems, particularly under high pH conditions, where rapid deswelling and phase separation were observed within minutes after the preparation of sample. While PVP-integrated gels exhibit stability in both linear and crosslinked configurations, their rheological properties are compromised at temperatures below 15 °C, leading to a loss of structural integrity. This characteristic renders them more suitable for hydrate inhibition applications than for enhancing the fracturing performance. This novel optimization of polymer blends for stimulation fluids enhances the efficiency and stability of operations in gas hydrate-bearing sediments (GHBS), offering a promising pathway toward energy security and the sustainable, clean production of energy resources.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127839"},"PeriodicalIF":5.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural optimization and characterization of fluoro-based protic ionic liquids for high-temperature and high-salinity conditions","authors":"Masooma Nazar,&nbsp;Muhammad Israr,&nbsp;Ahmad Mahboob,&nbsp;Syed Muhammad Shakil Hussain,&nbsp;Muhammad Shahzad Kamal","doi":"10.1016/j.molliq.2025.127820","DOIUrl":"10.1016/j.molliq.2025.127820","url":null,"abstract":"<div><div>Fluorine-based protic ionic liquids (FILs) have unique chemical and structural properties that make them attractive in applications that involve harsh conditions like high temperature and high salinity. In this study, we synthesized the seven FILs with primary amines having varied alkyl chain lengths. The chemical structure was confirmed by NMR, and FTIR spectroscopy. The thermal stability of the FILs was evaluated by the thermogravimetric analyzer (TGA). Additionally, the surface properties and thermodynamic parameters of the three most important FILs were also examined in this study. The long-term thermal and salt tolerance test was performed for three different types of water with having salinity range from 0 to 241,000 ppm. The results showed that the degradation temperature of all synthesized FILs was higher than the reservoir temperature. The surface-activity findings demonstrated that FILs with the alkyl chain range from (C₆-C₁₂) have excellent surface properties. However shorter chain (C₂-C₄) showed very little surface reduction, and the longer chain (C₁₄-C₁₆) faced solubility issues, which hindered the determination of their surface tension. The salt tolerance results provide stable and transparent solutions after one week of ageing at 90 °C. These findings exhibited the importance of the molecular structure of the FILs with their desired properties for the application at high temperature and high salinity conditions.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127820"},"PeriodicalIF":5.3,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical and thermophysical properties of cold-pressed and unrefined vegetable oils between 293.15 K and 433.15 K","authors":"Marcio Augusto Ribeiro-Sanches ,&nbsp;José de Jesús Zazueta-Morales ,&nbsp;Carolina Médici Veronezi ,&nbsp;Neuza Jorge ,&nbsp;Moysés Naves de Moraes ,&nbsp;Eduardo Basílio de Oliveira ,&nbsp;Jane Selia dos Reis Coimbra ,&nbsp;Silvio José Ferreira de Souza ,&nbsp;Javier Telis-Romero","doi":"10.1016/j.molliq.2025.127836","DOIUrl":"10.1016/j.molliq.2025.127836","url":null,"abstract":"<div><div>Vegetable oils are essential for human health, providing critical fatty acids and antioxidants such as carotenoids and tocopherols, including vitamin E. To preserve their nutritional value, texture, flavor, and shelf life, oil production must avoid conditions that promote degradation or the formation of harmful compounds. Understanding how transport properties change under various processing conditions is crucial. Among these, temperature significantly influences the physicochemical properties and flow behavior of oils in pipelines. This study analyzed the chemical and thermophysical properties of four cold-pressed, unrefined oils–peanut, sesame, golden flaxseed, and olive − across temperatures from 293.15 K to 433.15 K. Golden flaxseed oil had the highest linolenic acid content (50.68 %), while oleic acid predominated in peanut (41.72 %), sesame (42.04 %), and olive oils (71.44 %). Oxidative stability, measured by induction time, ranged from 0.96 h in golden flaxseed oil to 10.09 h in olive oil, with temperature causing a 73.84 % reduction in golden flaxseed oil stability. Tocopherol levels varied, with α-tocopherol ranging from 17.14 mg∙kg⁻¹ in golden flaxseed to 1091.35 mg∙kg⁻¹ in sesame oil. β-tocopherol was absent in peanut and sesame oils. Olive oil had the lowest smoke point (455.15 K), while golden flaxseed oil exhibited the highest (495.35 K). Temperature changes affected thermophysical properties: density decreased by 6.3 % in peanut oil and 2.05 % in golden flaxseed oil; heat capacity increased by 13.6 % in sesame oil and 36 % in olive oil; thermal conductivity increased by 6.6 % in golden flaxseed oil and 8.9 % in sesame oil; and viscosity decreased by 97.3 % in golden flaxseed oil and 98.3 % in sesame oil. These high-temperature data are vital for processes such as physical refining, where temperatures can reach up to 550 K.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127836"},"PeriodicalIF":5.3,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Repurposing steel byproducts for sustainable utilization as a novel weighting agent in drilling fluids","authors":"Jaber Al Jaberi ,&nbsp;Aseel Binafeef ,&nbsp;Badr Bageri","doi":"10.1016/j.molliq.2025.127840","DOIUrl":"10.1016/j.molliq.2025.127840","url":null,"abstract":"<div><div>Drilling fluids require weighting materials to increase density, ensuring wellbore stability and pressure control. This study proposes heavy steel waste (HSW), a byproduct of steel manufacturing, as a sustainable alternative to traditional weighting agents like barite and hematite. HSW was characterized using particle size analysis, XRD, XRF, and SEM, revealing a high iron content (98.11%) and a porous, agglomerated structure. Its performance was evaluated in water-based drilling fluids by testing rheology, stability, filtration, and filter cake quality. Results showed that HSW exhibits comparable rheological behavior to barite and hematite, effectively maintaining fluid stability and wellbore integrity. Additionally, HSW produced superior filter cake properties, indicating better fluid loss control. These findings suggest that HSW can serve as an efficient and environmentally beneficial weighting material, offering a cost-effective solution while promoting industrial waste reuse and reducing reliance on conventional materials in drilling operations.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127840"},"PeriodicalIF":5.3,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Concentration and solvent modulated intermolecular Fermi resonance","authors":"Qian Peng ,&nbsp;Shiyan Fan ,&nbsp;Wenfeng Li ,&nbsp;Shengrui Yu ,&nbsp;Xingkun Chen ,&nbsp;Daru Chen ,&nbsp;SanSan Yu ,&nbsp;Jiwen Jian ,&nbsp;Huigang Wang","doi":"10.1016/j.molliq.2025.127824","DOIUrl":"10.1016/j.molliq.2025.127824","url":null,"abstract":"<div><div>This study resolves the long-standing controversy over the origin of C<img>O stretching vibration splitting in cyclopentanone by integrating argon matrix isolation, annealing-controlled aggregation, and polarized Raman spectroscopy. For the first time, cyclopentanone monomers were isolated at ppm concentrations, revealing single C<img>O peaks and excluding Fermi resonance in individual molecules. Controlled annealing tracked dimer formation in situ, unveiling a quadruplet splitting pattern (1749/1750 and 1732/1734 cm⁻¹) as a spectroscopic signature of intermolecular dipole coupling and Fermi resonance activation. Solvent-specific modulation was demonstrated: aprotic solvents (CCl₄, CH₃CN) induced concentration-dependent blueshifts, while protic CH₃OH formed hydrogen-bonded clusters that suppressed resonance, with matrix isolation confirming no intermolecular interaction below 70 K. Light-driven aggregation control was achieved, where 365 nm irradiation selectively enhanced resonance through dimerization, whereas 254/405 nm light suppressed it. Supported by DFT calculations, this work redefines the mechanistic framework of Fermi resonance, establishing a universal strategy for probing intermolecular dynamics and designing tunable optoelectronic materials through environmental and optical modulation.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127824"},"PeriodicalIF":5.3,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MWCNT-tailored PVA membranes for enhanced dehydration of ethyl acetate-ethanol-water ternary mixture via pervaporation","authors":"Mohammad Abdul Muqeet ,&nbsp;Vineet Aniya ,&nbsp;Thella Prathap Kumar","doi":"10.1016/j.molliq.2025.127833","DOIUrl":"10.1016/j.molliq.2025.127833","url":null,"abstract":"<div><div>Ethyl acetate, a highly relevant and eco-friendly industrial solvent used in various pharmaceutical, paint, and varnish industries, has seen an increase in demand in recent years. This study reinforced a PVA-based novel mixed matrix membrane with multi-walled carbon nanotubes (MWCNTs) due to their small dimensions and high surface area, to separate a ternary mixture of ethyl acetate, ethanol, and water by pervaporation. The synthesized membranes were thoroughly characterised for different nanofiller loadings, and the degree of swelling was assessed. The membrane performance was also evaluated using a laboratory pervaporation setup. Various process parameters, such as feed water concentration, downstream pressure, and temperature, were studied to interpret key indicators like total flux, partial fluxes, selectivity, and separation index. The temperature-dependent activation energy of the PVA, 1 %, and 2 % MWCNT membranes was estimated. At a feed concentration of 13 wt% water, the membrane doped with 2 wt% multi-walled carbon nanotubes (MWCNTs) exhibited a permeation flux of 0.226 kg/m²·h, a selectivity of 326.36, and an activation energy of 12.33 kJ/mol. Long-term stability of over 100 h confirmed the membrane’s durability. Comparative analysis with commercial membranes revealed the superior efficiency and industrial potential of the MWCNT-doped membranes. Consequently, this study highlights the application of mixed matrix membranes through pervaporation to purify organic solvents from industrial streams, utilising eco-friendly and cost-efficient methodologies.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127833"},"PeriodicalIF":5.3,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CO2 solubility in tetrabutyl ammonium bromide (TBAB) and ethylene glycol deep eutectic solvents in the presence of N-methyl diethanolamine (MDEA): experimental study and thermodynamic modeling","authors":"Yosef Niktab,&nbsp;Ali Haghtalab","doi":"10.1016/j.molliq.2025.127834","DOIUrl":"10.1016/j.molliq.2025.127834","url":null,"abstract":"<div><div>The growing need for efficient carbon dioxide (CO₂) capture technologies has spurred research into novel solvents as alternatives to traditional methods. While ionic liquids (ILs) have shown promise, their high cost and complex synthesis hinder widespread application. Deep eutectic solvents (DESs), formed by simple mixing of a hydrogen bond donor and acceptor, have emerged as cost-effective and readily synthesized candidates for CO₂ absorption. Characterized by melting points lower than their components, DESs can exist in the liquid phase under ambient conditions. This study experimentally investigated the solubility of CO₂ in a specific DES composed of TetraButyl Ammonium Bromide (TBAB) and ethylene glycol (EG) in a 1:4 M ratio at temperatures of 313.15 K, 328.15 K, and 343.15 K, across a pressure range of 0.1–5 MPa. To further enhance CO₂ uptake, the effect of incorporating Methyl DiEthanolAmine (MDEA) at concentrations of 5, 10, and 15 wt% into the DES was also evaluated. The experimental results demonstrated a significant enhancement in CO₂ absorption with increasing pressure and decreasing temperature. Notably, the addition of MDEA led to a marked improvement in the CO₂ absorption capacity of the DES + MDEA mixture. Vapor-liquid equilibrium data for the studied systems were thermodynamically modeled using the Soave-Redlich-Kwong (SRK) equation of state for the vapor phase fugacity and the Non-Random Two-Liquid (NRTL) model for the liquid phase activity coefficients. The excellent agreement between the model predictions and the experimental data highlights the significant potential of TBAB:EG (DES), particularly when enhanced with MDEA, for efficient CO₂ capture applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127834"},"PeriodicalIF":5.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visible light promoted photocatalytic degradation of benzidine-based anionic diazo dye and its mechanistic studies using copper carbon dots incorporated biochar","authors":"Shubam Sudan ,&nbsp;Jyotsna Kaushal","doi":"10.1016/j.molliq.2025.127828","DOIUrl":"10.1016/j.molliq.2025.127828","url":null,"abstract":"<div><div>The increase in anthropogenic activities has an incremental effect on the contamination of water. Apart from all types of pollutants present in water, dyes contribute a major part to water pollution. In the current research, there is more emphasis on the synthesis of copper carbon dots doped biochar (Cu-CD-BC) and its application in the removal of benzidine-based anionic diazo dye i.e., Congo red (CR) dye from water samples under visible light irradiation in quick period. The novel copper doped carbon dots (Cu-CDs) prepared from the hydrothermal route were impregnated on the surface of biochar synthesized from pyrolytic carbonization to trigger the photocatalytic properties. The morphological structure and surface functionalities of the synthesized materials were characterized using HRTEM, UV, FESEM, XRD, and FTIR techniques. The Cu-CD-BC showed 99 % removal of CR dye at 20 mg L^–1 in the shortest 12 mins of reaction time reported to date. Batch studies were conducted to evaluate the effect of different parameters like catalyst dosage, pH, contact time, and initial dye concentration. Radical trapping studies were conducted to determine the effect of radicals on the degradation activity. From the trapping experiments, it was evaluated that the ∙O₂⁻ and ∙OH radicals facilitate the degradation mechanism. To compare the effectiveness of the catalyst, we also conducted experiments using Cu-CDs, pristine biochar, and Cu-CD-BC for the removal studies. The findings indicated that the biochar and Cu-CDs showed poor photocatalytic properties which are enhanced when the Cu-CDs are impregnated on the surface of biochar. The mechanistic pathway was also framed based on trapping and GCMS results. Cycle studies were done to determine the efficiency and reusability of the catalyst.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127828"},"PeriodicalIF":5.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The development of SnO2 quantum dots (QD) on metal–organic framework-5 (SnO2/MOF-5): Characterization, feasibility and pathways in photocatalytic degradation of Eriochrome Black t","authors":"Raana Sheikhsamany,&nbsp;Alireza Nezamzadeh-Ejhieh","doi":"10.1016/j.molliq.2025.127829","DOIUrl":"10.1016/j.molliq.2025.127829","url":null,"abstract":"<div><div>This study synthesizes a nanocomposite of nanosized Stannic oxide particles (SnO₂) decorated on [Zn₄O (BDC)₃] metal–organic framework-5 (SnO₂/MOF-5) using a facile solvent-thermal precipitation technique. This nanocomposite has outstanding catalytic degradation capabilities for Eriochrome Black T (EBT). TG-DTG, XRD, BET, BJH, FE-SEM, FT-IR, UV–VIS DRS, PL, and EDX techniques characterized the as-synthesized samples. Based on Scherrer and Williamson-Hall methods, the average crystallite size of the nano-composite samples was 43.3 nm and 65.0 nm, respectively. As a result of pHpzc measurements on SnO₂ and SnO₂(30 %wt)/MOF-5 samples, the pHpzc values of these samples were approximately 7.7 and 7.8, respectively. Our experiments showed that MOF-5, SnO₂, and SnO₂(30 %wt)/MOF-5 samples exhibit absorption edges of 328, 456, and 350 nm, respectively, associated with bandgap energies of 3.78, 2.71, and 3.54 eV, respectively. Based on the experimental parameters, it has been confirmed that 10 mg/L EBT can be degraded perfectly at these optimum operational parameters: SnO₂(30 %wt)/MOF-5: 1 g/L, pH: 5.0. In comparison with other binary photocatalysts, SnO₂(30 %wt)/MOF-5 showed the most impressive photocatalytic performance. The combination of the wide bandgap n-type SnO₂ semiconductor, having a high electron mobility, with MOF-5′s high surface area (up to 3000 m2/g) and ordered porosity improves the reaction kinetics. The high chemical and mechanical stability of incorporated SnO₂ forms a protective interface, mitigating MOF-5′s degradation in aqueous or harsh environments. For the best-boosting effect, the binary catalyst’s SnO₂/MOF-5 mass ratio must be 30 %wt (optimum: 30 %wt). Observations revealed that the photodegradation kinetics followed the Hinshelwood model (k = 0.011 min⁻¹, t_1/2 = 58.72 min). As a result of COD analysis on photodegraded EBT solutions, a Hinshelwood plot was obtained with a slope of 0.025 min⁻¹ (t_1/2 = 27.72 min). Despite four consecutive reaction cycles, there was no noticeable sign of performance decay after using SnO₂ (30 wt%)/MOF-5 for reusability.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127829"},"PeriodicalIF":5.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Simultaneous adsorption of organic pollutants on Mo-doped NiFe2O4 nanoparticles: Experimental and computational studies","authors":"Anshu Shrivastava,&nbsp;Indrajit Sinha","doi":"10.1016/j.molliq.2025.127827","DOIUrl":"10.1016/j.molliq.2025.127827","url":null,"abstract":"<div><div>Polluted water remediation by adsorption entails repeated adsorbent separation costs. While superparamagnetic adsorbents can reduce these costs to negligible levels, their adsorption properties towards most organic pollutants are poor. Appropriate doping of such materials can alter their adsorption properties drastically. Here, we synthesized three Mo-doped NiFe₂O₄ nanoparticles with 1, 2, and 4 atomic percent Mo-doping and examined the co-adsorption of methyl orange (MG) and ciprofloxacin (CIP) from an aqueous solution on each adsorbent sample. Molybdenum (Mo) has higher electronegativity than Ni or Fe. XPS analysis and DFT calculations show doping affects electron distribution in the doped material causing three types of adsorbent sites specific to different adsorbates. Latter is essential for efficient concurrent co-adsorption of multiple organic pollutants from an aqueous solution. The one-percent Mo-doped NiFe₂O₄ (1MNIF) nanoparticles demonstrated optimum CIP and MG co-adsorption removal from their aqueous solution under near-neutral pH conditions. The adsorption capacities of 1MNIF were 22.70 mg·g⁻¹ for CIP and 18.95 mg·g⁻¹ for MG. These values are approximately 5 times higher than those observed for the co-adsorption of CIP and MG using the pure NiFe₂O₄ nanoparticles. The equilibrium isothermal adsorption data best fitted the extended Freundlich isotherm model, keeping with co-adsorption on heterogeneous sites on the adsorbent.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127827"},"PeriodicalIF":5.3,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}