Journal of Molecular Liquids最新文献

英文中文

Gemini surfactant-functionalized di-Schiff bases: Tailoring hydrophobicity for corrosion protection of carbon steel in 1.0 M HCl 双子表面活性剂官能化二希夫碱：定制疏水性，在 1.0 M HCl 中保护碳钢免受腐蚀

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127297

Ahmed H. Elged , Eman A. Ghiaty , N.M. El Basiony , Samy M. Shaban

This study investigates the correlation between surface parameters and corrosion inhibition performance of a series of gemini surfactants based on di-azomethine, with varying hydrophobic tail lengths—DSGO (8 carbons), DSGD (12 carbons), and DSGH (16 carbons)—for carbon steel in aggressive 1.0M HCl. Our study developed an effective corrosion inhibitor by fine-tuning the surfactants’ molecular structures. The activity of these surfactants as corrosion inhibitors was evaluated by measuring their gravimetric analysis under varying temperatures and was correlated with their surface activity. Our findings highlight that the hydrophobic tail elongating enhances the surfactants’ adsorption tendency with increasing the minimum surface area occupied by each unimer (A_min), thereby increasing adsorption capacity on the carbon steel surface. This structural modification improves inhibition efficiency, which is dose-dependent and positively correlated with both hydrophobic tail elongation and temperature. Langmuir adsorption isotherms indicate a chemical adsorption nature (ΔG_ads = −40.3 to −44.9 kJ/mol), with inhibition efficiency rising with temperature. Electrochemical Tafel analysis reveals that DSGO, DSGD, and DSGH act as mixed-type inhibitors. XPS and SEM surface examinations confirmed the effective adsorption of these inhibitors on carbon steel, demonstrating their strong affinity and efficacy in mitigating corrosion.

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引用次数: 0

Facile synthesis of Schiff base palladium (II) complex for efficient catalytic reduction of aromatic nitro compounds and organic dyes for wastewater remediation

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127343

Abu Taha, Nitu Singh, Nowsheenah Farooq, Athar Adil Hashmi

Organic pollutants, such as aromatic nitro compounds and synthetic dyes, pose a serious threat to the environment as they are often released without prior treatment. These organic pollutants are primarily carcinogenic and do not degrade over time, necessitating their monitoring and removal from wastewater. Several methods exist for the removal of these harmful substances, including photolysis, adsorption, membrane treatment, biological treatment, catalytic oxidation, and catalytic reduction. In this work, we have synthesized a Schiff base (SB1) and its palladium complex (Pd (II) Complex), and characterized them through various analytical techniques such as Fourier transform infrared, proton nuclear magnetic resonance, electrospray ionization mass spectrometry, ultraviolet–visible spectroscopy, energy dispersive x-ray analysis, elemental analysis, elemental mapping and scanning electron microscope. Theoretical calculations, for SB1 and Pd (II) Complex, such as structure optimization, molecular electrostatic potential, frontier molecular orbital and energy band gap were also carried out. We subjected the Pd (II) Complex for catalytic reduction and found it very efficient in reducing aromatic nitro compounds as well as synthetic organic dyes. The Pd (II) Complex reduces 4-nitrophenol, 4-nitroaniline, congo red and methyl orange in 9, 5, 8 and 4 min with rate constant value of 0.48, 0.54, 0.33, and 1.07 min⁻¹ respectively.

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引用次数: 0

Pore-scale micromodel experiments for performance evaluation of polymeric nanofluids in CO2 flow through porous media for carbon utilization and storage

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127358

Alpana Singh , Bidesh Kumar Hembram , Stefan Iglauer , Alireza Keshavarz , Tushar Sharma

This study investigated the synthesis and application of carbonated single-step polymeric nanofluids for efficient CO₂ utilization in a subsurface environment. The nanofluids were synthesized using oilfield polymer solutions, ensuring high stability and compatibility with petroleum reservoir conditions such as the presence of crude oil and micromodel studies for CO₂-EOR applications. The work highlights the preparation of nanofluids via a single-step method. Polymers e.g., xanthan gum and polyvinyl alcohol (PVA) were chosen as a base fluid and tetraethyl orthosilicate (TEOS) as a precursor. The nanofluids demonstrated superior stability as evident by visual and zeta-potential results. The average particle of all synthesized nanofluids was in the range of 33–110 nm for xanthan gum-based nanofluids whereas 16.9–115 nm for PVA-based nanofluids. After utilizing the pressure decay method (pressure range: 6–12 bar, ambient temperature: 30 °C), the nanofluids demonstrated exceptional CO₂ absorption capabilities, presenting a promising avenue for carbon capture and utilization. The highest CO₂ absorption was observed for P2 and X1 among all prepared nanofluids as evident from molality results. Higher CO₂ absorption output was also validated by microscopic studies where maximum CO₂ bubbles were observed for P2 and X1. After synthesis, the nanofluids were deployed in a microfluidic unit to simulate subsurface conditions, demonstrating their potential for enhanced CO₂ sequestration. This study presents the novel synthesis of single-step polymeric nanofluids for CO₂ utilization in subsurface environments, with a focus on carbon storage. The study innovatively utilizes a single-step method for nanofluid preparation, enhancing stability and CO₂ absorption efficiency. The findings offer a significant advancement over previous CO₂ sequestration techniques, providing a promising solution for mitigating greenhouse gas emissions.

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引用次数: 0

Smartphone colorimetry for rapid environmental monitoring: Detecting Ni2+ using EDTA and mercapto succinic acid functionalized silver nanoparticles

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127351

Yohana Kristafani Nubatonis , Roto Roto , Dwi Siswanta , Meruyert Keikimanova , Ahmad Hosseini-Bandegharaei

Keeping the importance of devising a simple, fast, low-cost, and precise method in view for the determination of the targeted analytes in an environmental sample, this work exploited synthesized silver nanoparticles (AgNPs) along with mercapto succinic acid (MSA) and ethylenediamine tetraacetate (EDTA) as probes for detecting Ni²⁺ ions. The effectiveness of these probes as Ni²⁺ sensors was validated using the digital image colorimetry (DIC) method. The prepared AgNPs had an average particle size of 14.68 nm and demonstrated good stability for up to 2 months. The addition of Ni²⁺ ions to colloidal AgNPs induced particle aggregation through metal–ligand coordination, which led to a color change in the solutions from yellow (λ_max 402 nm) to blue (λ_max 620 nm) and an increase in the Euclidean distance (Δd) value. Furthermore, the modified AgNPs were able to detect Ni²⁺ in the concentration range of 10–300 µM with a very low detection limit of 3.30 µM for the spectrophotometric method and 3.57 µM for the DIC method. The probe showed high selectivity for Ni²⁺ against eleven other potential interfering ions. The resulting sensor showed good performance in detecting Ni²⁺ ions in Code river and tap water with an accuracy of 97.43–106.85 %. Our findings provide a simple and rapid method for routine monitoring of the presence of heavy metals in environmental samples.

{"title":"Smartphone colorimetry for rapid environmental monitoring: Detecting Ni2+ using EDTA and mercapto succinic acid functionalized silver nanoparticles","authors":"Yohana Kristafani Nubatonis , Roto Roto , Dwi Siswanta , Meruyert Keikimanova , Ahmad Hosseini-Bandegharaei","doi":"10.1016/j.molliq.2025.127351","DOIUrl":"10.1016/j.molliq.2025.127351","url":null,"abstract":"<div><div>Keeping the importance of devising a simple, fast, low-cost, and precise method in view for the determination of the targeted analytes in an environmental sample, this work exploited synthesized silver nanoparticles (AgNPs) along with mercapto succinic acid (MSA) and ethylenediamine tetraacetate (EDTA) as probes for detecting Ni<sup>2+</sup> ions. The effectiveness of these probes as Ni<sup>2+</sup> sensors was validated using the digital image colorimetry (DIC) method. The prepared AgNPs had an average particle size of 14.68 nm and demonstrated good stability for up to 2 months. The addition of Ni<sup>2+</sup> ions to colloidal AgNPs induced particle aggregation through metal–ligand coordination, which led to a color change in the solutions from yellow (λ<sub>max</sub> 402 nm) to blue (λ<sub>max</sub> 620 nm) and an increase in the Euclidean distance (Δd) value. Furthermore, the modified AgNPs were able to detect Ni<sup>2+</sup> in the concentration range of 10–300 µM with a very low detection limit of 3.30 µM for the spectrophotometric method and 3.57 µM for the DIC method. The probe showed high selectivity for Ni<sup>2+</sup> against eleven other potential interfering ions. The resulting sensor showed good performance in detecting Ni<sup>2+</sup> ions in Code river and tap water with an accuracy of 97.43–106.85 %. Our findings provide a simple and rapid method for routine monitoring of the presence of heavy metals in environmental samples.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127351"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610094","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}

引用次数: 0

Investigation of single, double and triple boron modified fullerene-C60 for the controlled drug delivery, kinetic stability and sensitivity assessments of tegafur: DFT insights 研究单硼、双硼和三硼修饰富勒烯-C60 在替加氟（tegafur）控制给药、动力学稳定性和敏感性评估中的应用：DFT 见解

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127346

Cemal Parlak , Özgür Alver

Controlled and time-extended drug delivery assessments have become an important subject ever since novel nanomaterials appeared in the scene of science. In the scope of this study, taking advantage of density functional theory, the possibility of extended drug release of tegafur drug molecule using single, double and triple boron modified fullerene C₆₀ was investigated. Structural and kinetic stability evaluations and some important diagnostic vibrational bands of B-doped fullerene-C₆₀ and its interacted forms with the tegafur molecule were investigated. It was concluded that by modifying the surface of C₆₀ with the B-dopant atom and using the different interaction sites of tegafur, it is possible to produce different binding energies and recovery times for controlled drug delivery purposes.

引用次数: 0

Ligand free extraction of tri-, tetra-, and hexa-valent actinide ions from aqueous hydrochloric acid medium using task specific ionic liquids

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127324

Surekha D. Chowta , Arijit Sengupta , G. Sugilal , Prasanta K. Mohapatra

<div><div>The present manuscript demonstrates the ligand free extraction of tetra-, hexa- and tri-valent actinides (Pu<sup>4+</sup>, UO<sub>2</sub><sup>2+</sup> and Am<sup>3+</sup>) from hydrochloric acid medium using the ionic liquids, <em>n</em>-butyl trimethyl bis(trifluoromethylsulfonyl)imide (BuMe<sub>3</sub>N•NTf<sub>2</sub>); methyl-tri-<em>n</em>-butyl ammonium bis(trifluoromethylsulfonyl)imide (Bu<sub>3</sub>MeN•NTf<sub>2</sub>) and tri-<em>n</em>-hexyl tetradecyl phosphonium bis (2,4,4) trimethyl-<em>n</em>-pentylphosphinate ((C<sub>6</sub>)<sub>3</sub>C<sub>14</sub>P.(C<sub>1</sub>)<sub>3</sub>C<sub>5</sub>POO). The observed trend in the extraction of the actinides was: D<sub>Pu</sub> > D<sub>U</sub> > D<sub>Am</sub> for a particular ionic liquid; while for a particular actinide the observed trend in its extraction was: (C<sub>6</sub>)<sub>3</sub>C<sub>14</sub>P.(C<sub>1</sub>)<sub>3</sub>C<sub>5</sub>POO) > BuMe<sub>3</sub>N•NTf<sub>2</sub> > Bu<sub>3</sub>MeN•NTf<sub>2</sub>. The extraction of UO<sub>2</sub><sup>2+</sup> and Pu<sup>4+</sup> from 7 M HCl feed was found to proceed via the anionic chloro complexes, which were part of the following extracted species: <span><math><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>B</mi><mi>u</mi></mrow><mn>3</mn></msub><mi>M</mi><mi>e</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>U</mi><msub><mi>O</mi><mn>2</mn></msub><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>4</mn></msub></mrow></mfenced></mrow></mrow></math></span> and <span><math><mrow><msub><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>B</mi><mi>u</mi></mrow><mn>3</mn></msub><mi>M</mi><mi>e</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mo>)</mo></mrow></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>P</mi><mi>u</mi><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>6</mn></msub></mrow></mfenced></mrow></mrow></math></span>; <span><math><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>M</mi><mi>e</mi></mrow><mn>3</mn></msub><mi>B</mi><mi>u</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>U</mi><msub><mi>O</mi><mn>2</mn></msub><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>4</mn></msub></mrow></mfenced></mrow></mrow></math></span> and <span><math><mrow><msub><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>M</mi><mi>e</mi></mrow><mn>3</mn></msub><mi>B</mi><mi>u</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mo>)</mo></mrow></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>P</mi><mi>u</mi><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>6</mn></msub></mrow></mfenced></mrow></mrow></math></span>; <span><math><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>H</mi><mi>e</mi><mi>x</mi></mrow><mn>3</mn></msub><mrow><mfenced><mrow><mi>T</mi><mi>e</mi><mi>t</mi><mi>r</mi><mi>a</mi><mi>d</mi><mi>e</mi><mi>c</mi><mi>y</mi><mi>l</mi></mrow></mfenced></mrow><mi>P</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>U</mi><msub><mi>O</mi><mn>2</mn></msub><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>4</mn

本手稿展示了利用离子液体正丁基三甲基双(三氟甲基磺酰基)亚胺(BuMe3N-NTf2)从盐酸介质中无配体萃取四价、六价和三价锕系元素（Pu4+、UO22+ 和 Am3+）的过程；甲基-三正丁基双(三氟甲磺酰基)亚胺铵盐 (Bu3MeN-NTf2) 和三正己基十四烷基双(2,4,4) 三甲基-正戊基膦酸盐 ((C6)3C14P.(C1)3C5POO）。观察到的锕系元素萃取趋势是对于特定的离子液体，DPu > DU > DAm；而对于特定的锕系元素，观察到的萃取趋势是：(C6)3C14P.发现从 7 M HCl 进料中萃取 UO22+ 和 Pu4+ 是通过阴离子氯络合物进行的，这些络合物是以下萃取物的一部分：(Bu3MeN)2UO2Cl4 和 (Bu3MeN)2)2PuCl6; (Me3BuN)2UO2Cl4 和 (Me3BuN)2)2PuCl6; (Hex3TetradecylP)2UO2Cl4 和 (Hex3TetradecylP)2PuCl6。研究发现，NTf2- 阴离子从离子液体相交换到水相符合 "阴离子交换 "机制。在 Am3+ 的情况下，萃取主要通过 "溶解 "机制进行，Am-离子液体的化学计量为 1:1。在 8 M HCl 条件下，钚对铀的最大分离系数估计为 ∼ 3.0 (βPu/U)；而在 Bu3MeN.NTf2；Me3BuN.NTf2 和 (C6)3C14P.(C1)3C5POO 的估计值分别为 2.6 (βPu/U), 14 (βPu/Am) 和 1.8 (βPu/U), 25 (βPu/Am)。萃取过程为自发放热。络合剂（即 0.5 M 碳酸钠、草酸和乙二胺四乙酸）可在一次接触中成功地从负载离子液体相中萃取出超过 90% 的铀、钚和镅。在 500 kGy γ 射线照射下，这些溶剂系统表现出适度的放射性稳定性。

引用次数: 0

High brightness NIR luminescence BOPYINs: Synthesis, optical properties, acidic and viscosity response

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127344

Yangyang Liu , Furong Shi , Ziyi Zhang , Dexin Zou , Nuonuo Zhang , Jiaying Yan

To obtain dyes exhibiting NIR emission and maintaining highly fluorescence quantum yield (FQY), a novel series of BO-DEs featuring a D-π-A system were synthesized starting from BOPYINs with visible emission in this work. BO-DEs with maximum emission wavelength ranging from 700 to 824 nm in solvents with different polarity. Compared to the previous work, the addition of a double bond on the π-bridge of BO-DE-1 led to a significant red shift with ca. 100 nm in variety of solvents vs that of YD6. Moreover, the introduction of a cyano group onto indole unit endows BO-DE-4 with emission peak at 794 nm and a relatively strong FQY of 7.8 % in DCM. Additionally, the AIE effect and acidic/viscosity response are detected in BO-DEs. Furthermore, the structure of BO-DE-1 were further demonstrated by single-crystal, and optical properties of BO-DEs were discussed through DFT calculations. This work provides an effective pathway for the preparation of high brightness NIR emission dyes based on BOPYINs, which is meaningful for fluorescence imaging in vivo.

为了获得具有近红外发射并保持高荧光量子产率（FQY）的染料，本研究从具有可见光发射的 BOPYINs 开始，合成了一系列具有 D-π-A 系统的新型 BO-DEs。在不同极性的溶剂中，BO-DEs 的最大发射波长为 700-824 nm。与之前的工作相比，在 BO-DE-1 的 π 桥上添加双键后，在各种溶剂中与 YD6 相比，BO-DE-1 的红移显著，约为 100 nm。此外，在吲哚单元上引入氰基后，BO-DE-4 的发射峰为 794 nm，在 DCM 中的 FQY 相对较高，为 7.8%。此外，BO-DE 中还检测到了 AIE 效应和酸性/粘度反应。此外，还通过单晶进一步证明了 BO-DE-1 的结构，并通过 DFT 计算讨论了 BO-DEs 的光学特性。这项工作为制备基于 BOPYINs 的高亮度近红外发射染料提供了有效途径，对体内荧光成像具有重要意义。

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引用次数: 0

Molecular association of N,N-dimethylacetamide in carbon tetrachloride as an inert medium and its water mixtures

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127353

Wei Guo, Songsong Li, Zhongyu Fu, Huixuan Zhang, Qingxin Meng, Shiling Jia

The molecular association in N,N-dimethylacetamide (DMAc or DMA) and DMAc/H₂O mixtures was investigated using FT-IR spectroscopy. The density functional theory (DFT) calculations and spectral deconvolution identified the primary molecular association types among DMAc molecules, and the position of the characteristic peaks. Using two-dimensional infrared correlation analysis, the transition processes among several molecular association types were investigated as functions of temperature and concentration, the Trimer type of N,N-dimethylacetamide is the main association compared to the other associations (Free, Dimer and higher molecular aggregates (Agg)). In DMAc/H₂O mixtures, we observed that water interacts with the carbonyl group through hydrogen bonding, and the evolution of dominant cluster structures in the system was examined as a function of DMAc concentration.

引用次数: 0

Thermal and pressure stimulated effect on mesogenic 4-(heptyloxy)benzoic acid and gold nano rod composite systems

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127354

Abhinav Lal , Ravindra Dhar

Nano composites of gold nano rod (GNR) with hydrogen-bonded calamitic liquid crystal (LC) compound 4-(Heptyloxy)benzoic acid is prepared for five different concentrations of GNR. Pure LC and its composites are characterized calorimetrically, texturally and spectroscopically. Pressure stimulated effects on thermal parameters like peak transition temperature (Tp), change in enthalpy of transition (ΔH) are studied. Decrease in Tp and ΔH is observed for the low concentration of GNRs, whereas these parameters have increased for composite 1 on application of pressure. Texture study confirms the uniform distribution of nano rods in the LC matrix without any sign of aggregation. Schlieren textures for different meso phases and transition between them have been recorded. A less common six-fold brush pattern is observed in Schlieren texture for one of the composites with strength of defect value S =

\pm \frac{3}{2}

. FTIR study confirms the presence of H-bond between host LC molecules to form dimers in pure and composite systems.

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引用次数: 0

Carboxylated graphene oxide: Characterization change and enhanced adsorption capacity towards Pb2+ and Cu2+ in wastewater

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids

Pub Date : 2025-03-08 DOI: 10.1016/j.molliq.2025.127312

Thi Tuong Van Tran, Mai Lien Tran, Chi Hieu Nguyen

Background

In this work, we conducted a carboxylation process on a pristine nanomaterial – graphene oxide (GO), to improve the number of its carboxyl functional groups and thereby its adsorption performance towards heavy metal ions in wastewater.

Methods

The carboxylated GO, denoted as GO-COOH, was prepared via a carboxylation procedure with chloroacetic acid as a precusor. Characterization analyses including FESEM, BET, XRD, FTIR and zeta potential, and batch adsorption experiments towards Pb²⁺ and Cu²⁺ ions in aqueous solution were carried out to evaluate characterization and adsorption ability of the prepared materials.

Significant findings

The adsorption capacity for Pb²⁺ increased from q_max = 279.70 mg/g (GO) to q_max = 364.37 mg/g (GO-COOH0.5), meanwhile the q_max values for Cu²⁺ of GO and GO-COOH0.5 were 124.04 mg/g and 137.69 mg/g, respectively. The materials were also examined through a resuablity test and further used for a real wastewater from an industrial park in Ho Chi Minh City, Vietnam. It was found that the GO-COOH0.5 preserved relatively high adsorption capacity (67–69 %) after 5 cycles. Additionally, the GO-COOH0.5 exhibited higher removal efficiency for all metal ions present in the real wastewater as compared to GO, indicating potential applications of carboxylated GO adsorbent in practical wastewater treatment.

{"title":"Carboxylated graphene oxide: Characterization change and enhanced adsorption capacity towards Pb2+ and Cu2+ in wastewater","authors":"Thi Tuong Van Tran, Mai Lien Tran, Chi Hieu Nguyen","doi":"10.1016/j.molliq.2025.127312","DOIUrl":"10.1016/j.molliq.2025.127312","url":null,"abstract":"<div><h3>Background</h3><div>In this work, we conducted a carboxylation process on a pristine nanomaterial – graphene oxide (GO), to improve the number of its carboxyl functional groups and thereby its adsorption performance towards heavy metal ions in wastewater.</div></div><div><h3>Methods</h3><div>The carboxylated GO, denoted as GO-COOH, was prepared via a carboxylation procedure with chloroacetic acid as a precusor. Characterization analyses including FESEM, BET, XRD, FTIR and zeta potential, and batch adsorption experiments towards Pb<sup>2+</sup> and Cu<sup>2+</sup> ions in aqueous solution were carried out to evaluate characterization and adsorption ability of the prepared materials.</div></div><div><h3>Significant findings</h3><div>The adsorption capacity for Pb<sup>2+</sup> increased from q<sub>max</sub> = 279.70 mg/g (GO) to q<sub>max</sub> = 364.37 mg/g (GO-COOH0.5), meanwhile the q<sub>max</sub> values for Cu<sup>2+</sup> of GO and GO-COOH0.5 were 124.04 mg/g and 137.69 mg/g, respectively. The materials were also examined through a resuablity test and further used for a real wastewater from an industrial park in Ho Chi Minh City, Vietnam. It was found that the GO-COOH0.5 preserved relatively high adsorption capacity (67–69 %) after 5 cycles. Additionally, the GO-COOH0.5 exhibited higher removal efficiency for all metal ions present in the real wastewater as compared to GO, indicating potential applications of carboxylated GO adsorbent in practical wastewater treatment.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127312"},"PeriodicalIF":5.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143591858","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}

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