An Anionic Porous Indium-Organic Framework with Nitrogen-Rich Linker for Efficient and Selective Removal of Trace Cationic Dyes.

Metal-organic frameworks (MOFs) with porosity and functional adjustability have great potential for the removal of organic dyes in the wastewater. Herein, an anionic porous metal-organic framework (MOFs) [Me2NH2]2In2[(TATAB)4(DMF)4]·(DMF)4(H2O)4 (HDU-1) was synthesized, which is constructed from a [In(OOC)4]- cluster and a nitrogen-rich linker H3TATAB (4,4',4″-s-triazine-1,3,5-triyltri-p-aminobenzoic acid). The negatively charged [In(OOC)4]- cluster and uncoordinated -COOH on the linker result in one unit cell of HDU-1 having 8 negative sites. The zeta potential of -20.8 mV dispersed in pure water also shows that HDU-1 possesses negatively charged surface potential. The high electronegativity, water stability, and porosity of HDU-1 can facilitate the ion-exchange and Coulombic interaction. As expected, the HDU-1 exhibits high selectivity and removal rates towards trace cationic dyes with suitable size, such as methylene blue (MB) (96%), Brilliant green (BG) (99.3%), and Victoria blue B (VB) (93.6%).

Synthesis and application of a carbon composite containing molecularly imprinted poly(methacrylic acid) for efficient removal of fenpyroximate pesticide.

This work describes fabrication steps of the carbon composite based on molecular imprinted poly(methacrylic acid) (MIP-CC) as a new adsorbent for the selective removal of fenpiroxymate pesticide (Fen). The prepared composite was characterized using Brunauer-Emmett-Teller (BET), zeta sizer and Field Emission Scanning Electron Microscopy (FESEM) techniques. The influence of operational parameters such as solution pH, contact time, amount MIP for preparation of carbon composite and amount MIP- CC toward removal of Fen have been evaluated and optimized via central composite design (CCD) as an optimization tool of response surface method. The optimum removal (87%) was achieved at pH 6.5, 1.53 g/L carbon composite prepared with 3.4 wt % MIP at 70 min. The maximum adsorption of Fen by the fabricated MIP-CC was 254 mg/g. Compared with the corresponding non-imprinted polymer (NIP-CC), the MIP-CC exhibited higher adsorption capacity and outstanding selectivity toward Fen. Langmuir isotherm best fitted the adsorption equilibrium data of MIP-CC and the kinetics followed a pseudo-second-order model. The calculated thermodynamic parameters showed that adsorption of Fen pesticide was spontaneous and exothermic under the studied conditions.

Hydrophilic magnetic molecularly imprinted resin in PVDF membrane for efficient selective removal of dye.

Selective removal of contaminants from water by membranes is of practical importance for water purification and environmental protection. In the present study, through an in-situ polymerization process, a novel composite of Fe3O4/molecularly imprinted resorcinol -formaldehyde-melamine resin (Fe3O4/MIRFMR) was synthesized. Then, the novel membrane was prepared from a tea filter bag (TFB) as a base substrate which was subsequently coated by a casting solution containing polyvinylidene fluoride (PVDF) matrix, Prunus scoparia gum as a hydrophilic agent and Fe3O4/MIRFMR as selective filler by phase inversion technique. Resorcinol as functional monomers with multiple hydrophilic groups such as -OH, -NH2 and -NH-, were used for selective removal of Rhodamine B (RhB) as target molecule. The Fe3O4/MIRFMR/PVDF/TFB membranes were characterized by FE-SEM, XRD, FTIR, BET, VSM, water contact angle (WCA) and mechanical analysis. The filtration and adsorption of RhB on the prepared membrane was investigated parameters in a cross-module filtration setup. Casting solution containing 0.01 g of Fe3O4/MIRFMR as optimum value showed good wettability, high water flux (42.5 L/m2 h), flux recovery ratio (88.9%), RhB removal efficiency (95.8%). The selectivity of 4.9, 3.3, 2.1 and 2.5 was found to be for RhB compared to AB, MG, EB, and TB dye. It seems that the fabricated membrane could be an effective and selective option for wastewater containing pollutants. The high removal efficiency, fouling resistance, good wettability and stability of the fabricated membrane are promising for use in practical water filtration, especially for selective removal of dyes.

Green synthesis of iron nanoparticle by tea extract (polyphenols) and its selective removal of cationic dyes.

The traditional synthesis of iron nanoparticles has the problems of high cost and secondary pollution. There is an urgent need for an economic, effective and environment-friendly method to solve this key issue. Here, the iron nanoparticles were prepared by a novel biosynthesis based on extracted tea polyphenols. Five kinds of tea were tested by microwave method, and the optimum extraction conditions were determined by orthogonal experiment L9 (34). The obtained materials were characterized by XRD, SEM, FTIR, XPS, Zeta potential and UV-Vis. The iron nanoparticle has a regular spherical or ellipsoidal shape with a particle size of about 75-100 nm. It was noted that it shows good selective removal for cationic dyes (malachite green (MG), rhodamine B (RB) and methylene blue (MB)). Kinetic experiment of iron nanoparticle on cationic dyes was in accordance with the pseudo first order kinetic model. Further, the possible removal mechanism was proposed, which mainly involves the process of adsorption and reduction. Mostly, its removal capacity of Malachite green reaches as high as 190.3 mg/g.

One-pot fabrication of reusable hybrid sorbents for quick removal of oils from wastewater.

The leaking of harmful organic liquids into water resources has had hazardous impacts on living organisms. Herein, we demonstrated the fabrication of hybrid sorbents using s-PPG and organosilane cross-linker. The final product exhibited high, quick absorption capacity, great reusability and excellent oil separation performance from wastewater. They also selectively absorb different oils from the bottom and surface of water without any capacity change, even in harsh conditions like wavy and sub-zero water environment. Experimental results demonstrated that the obtained sorbents are efficient to successfully remove oil from water surface, even at harsh conditions, and float on the water surface before and after oil sorption without any capacity loss and structural change. Simple preparation by avoiding time consuming multistep process, initiator, solvent, activator free reaction medium, high and selective sorption characteristics and great reusability could make these sorbents a promising candidate for the cleaning of water from harmful organic liquids, by absorbing them.

Minimally interventive restorative care of teeth with molar incisor hypomineralization and open apex-A 24-month longitudinal study.

AIM: To assess the efficacy of treatment using a minimally invasive approach (selective removal of carious tissue, restoration and preventive strategies) in immature permanent molars with MIH. DESIGN: A total of 281 patients, aged 6-8 years, with carious lesions (ICDAS 5-6), severe MIH, and incomplete root formation (one tooth/patient) were included. After clinical and radiographic examinations, selective carious tissue removal was performed, and the teeth received interim restoration for 6 months and were then restored with composite resin. Clinical and radiographic follow-up was undertaken, 6, 12, 18, and 24 months. A protocol of preventive oral care measures was established and repeated at each follow-up, including diet counselling, oral hygiene instruction, dental plaque control, and topical application of fluoride varnish containing CPP-ACP. All clinical procedures and evaluations were done by a single operator. RESULTS: Clinical and radiographic success was observed 24 months after treatment in 96.8% of the cases. Failures were due to enamel fracture at restoration margins, resulting in pulpitis and absence of apex closure. CONCLUSION: Selective removal of carious tissue, interim, and subsequently definitive restoration, combined with home and professional preventive measures, maintained marginal integrity of restorations in immature permanent molars with severe MIH, confirmed by pulp vitality and occurrence of apexogenesis.

Ion-exchange polymers modified bacterial cellulose electrodes for the selective removal of nitrite ions from tail water of dyeing wastewater.

Ion-exchange polymer and modified carbonization bacterial cellulose (CBC) electrodes were fabricated using varying amounts of cation-exchange polymers (glutaric acid (GA) and sulfosuccinic acid (SSA)) and assembled within an asymmetric capacitive deionization unit (p-CDI). The performance of selective NO2- electro-adsorption was studied. The AC/CBC-SSA group showed a better salt adsorption capacity (14.56 mg/g) and nitrite removal efficiency (71.01%) than the AC/CBC-GA (10.72 mg/g, 47.83%) and AC/AC (4.81 mg/g, 12.74%) groups. It was confirmed that the CBC-SSA/GA electrodes enhanced nitrite selectivity and increased the adsorption capacity, and the total amounts of adsorbed anions increased when the applied voltage was increased from 0.8 to 1.2 V, while the molar fraction of nitrate decreased. The competitive and preferential adsorption of anions was further investigated using different binary solutions of anions and occurred in the following sequence: NO2- >SO42- >NO3- >F-≈ Cl-. Furthermore, the p-CDI units were applied to remove nitrite in real wastewater samples, and the results showed that they had excellent reusability and application for use in dyeing wastewater treatment.

Nanofluids and chemical highly retentive hydrogels for controlled and selective removal of overpaintings and undesired graffiti from street art.

One of the main problems connected to the conservation of street art is the selective removal of overlying undesired graffiti, i.e., drawings and tags. Unfortunately, selective and controlled removal of graffiti and overpaintings from street art is almost unachievable using traditional methodologies. Recently, the use of nanofluids confined in highly retentive pHEMA/PVP semi-interpenetrated polymer networks was proposed. Here, we report on the selective removal of acrylic overpaintings from a layer of acrylic paint on mortar mockups in laboratory tests. The results of the cleaning tests were characterized by visual and photographic observation, optical microscopy, and FT-IR microreflectance investigation. It was shown that this methodology represents a major advancement with respect to the use of nonconfined neat solvents.

Scavenging of nitric oxide by hemoglobin in the tunica media of porcine coronary arteries.

Scavenging of nitric oxide (NO) often interferes with studies on NO signaling in cell-free preparations. We observed that formation of cGMP by NO-stimulated purified soluble guanylate cyclase (sGC) was virtually abolished in the presence of cytosolic preparations of porcine coronary arteries, with the scavenging activity localized in the tunica media (smooth muscle layer). Electrochemical measurement of NO release from a donor compound and light absorbance spectroscopy showed that cytosolic preparations contained a reduced heme protein that scavenged NO. This protein, which reacted with anti-human hemoglobin antibodies, was efficiently removed from the preparations by haptoglobin affinity chromatography. The cleared cytosols showed only minor scavenging of NO according to electrochemical measurements and did not decrease cGMP formation by NO-stimulated sGC. In contrast, the column flow-through caused a nearly 2-fold increase of maximal sGC activity (from 33.1 ± 1.6 to 54.9 ± 2.2 µmol × min(-1) × mg(-1)). The proteins retained on the affinity column were identified as hemoglobin α and ß subunits. The results indicate that hemoglobin, presumably derived from vasa vasorum erythrocytes, is present and scavenges NO in preparations of porcine coronary artery smooth muscle. Selective removal of hemoglobin-mediated scavenging unmasked stimulation of maximal NO-stimulated sGC activity by a soluble factor expressed in vascular tissue.

Ferrocene-based metal-organic frameworks with dual synergistic active sites for selectively electrochemical removal of arsenic from contaminated water.

The effective removal of trace levels of the highly toxic arsenite (As(Ⅲ)) from groundwater is crucial to address the threat to drinking water supply. Herein, we developed an electrochemical separation system utilizing redox-active ferrocene-based metal-organic frameworks (termed Fe-DFc) for selective removal of As(III). This system leveraged 1,1'-ferrocenedicarboxylic acid as a ligand coordinated with iron, enabling the highly selective capture and conversion of As(III) from groundwater. The Fe-DFc electrode-based electrochemical system not only effectively removed As(III) even in the presence of a 1250-fold excess of competing electrolytes, but also converted about 96 % of the adsorbed As(III) into the less toxic As(V), surpassing the results of those documented in the current literature. X-ray absorption fine structure analysis and density functional theory calculations demonstrated that the high selectivity of Fe-O6 moiety and the exceptional redox activity of Fc synergistically contributed to the efficient removal of As(III). Moreover, the electrochemical separation system enabled the remediation of arsenic-contaminated groundwater at a low energy cost of 0.033 kWh m-3 during long-term operation, highlighting the application potential of the electrochemical technology for arsenic removal from contaminated water.

Enhanced adsorption dynamics and thermal stability of radioactive Sr(II) by lamellar Nb-doped sodium vanadosilicate via self-assembly and conditional natroxalate intercalation.

To promote the environmentally friendly and sustainable development of nuclear energy, it is imperative to address the treatment of wastewater generated by the nuclear industry. This necessitates the enhancement of fission product reclamation efficiency post-treatment. This study aims to combine defect control and confined self-assembly strategies for the precise design of interlayer spacing (14.6 Å to 15.1 Å), leading to the fabrication of conditional natroxalate-functionalized vanadosilicate, and its potential application in the efficient adsorption and reclamation of 90Sr. Na0.03Natroxalate2.47Si1.44Nb0.08V1.92O5·1.2 H2O (Nb4-NxSiVO), with a layer spacing of 14.9 Å, exhibits the highest Sr(II) adsorption capacity (248.76 mg/g), enabling effective separation with Cs+. The natroxalate embedded within the confined interlayers demonstrates excellent stability, offering rapid (within 10 min) and stable adsorption sites for Sr(II). Furthermore, Nb4-NxSiVO exhibits a wide band gap and exceptional thermal stability before and after adsorption, rendering hard desorption of 90Sr. The findings highlight the potential of Nb4-NxSiVO as a promising adsorbent for rapid and selective purification of 90Sr-containing wastewater and further application in nuclear batteries.

Membrane capacitive deionization (MCDI): A flexible and tunable technology for customized water softening.

There is a growing demand for water treatment systems for which the quality of feedwater in and product water out are not necessarily fixed with "tunable" technologies essential in many instances to satisfy the unique requirements of particular end-users. For example, in household applications, the optimal water hardness differs for particular end uses of the supplied product (such as water for potable purposes, water for hydration, or water for coffee or tea brewing) with the inclusion of specific minerals enhancing the suitability of the product in each case. However, conventional softening technologies are not dynamically flexible or tunable and, typically, simply remove all hardness ions from the feedwater. Membrane capacitive deionization (MCDI) can potentially fill this gap with its process flexibility and tunability achieved by fine tuning different operational parameters. In this article, we demonstrate that constant-current MCDI can be operated flexibly by increasing or decreasing the current and flow rate simultaneously to achieve the same desalination performance but different productivity whilst maintaining high water recovery. This characteristic can be used to operate MCDI in an energy-efficient manner to produce treated water more slowly at times of normal demand but more rapidly at times of peak demand. We also highlight the "tunability" of MCDI enabling the control of effluent hardness over different desired ranges by correlating the rates of hardness and conductivity removal using a power function model. Using this model, it is possible to either i) soften water to the same hardness level regardless of the fluctuation in hardness of feed waters, or ii) precisely control the effluent hardness at different levels to avoid excessive or insufficient hardness removal.

Selective oxidation behavior based on iron-doped MOF derived carbon-based catalysts: Active site regulation and degradation mechanism analysis.

Selective removal of target organic pollutants in complex water quality of municipal sewage is extremely important for the deep treatment of water quality. Here, energetic MOF and Fe-MOF are doped in electrostatic spinning process to adjust the structure and composition of the catalysts, active oxygen species (ROSs), realizing the selective removal of organic pollutants. Non-azo and azo pollutants are selected as target pollutants. Catalysts PCFe-8 with Fe nanoclusters, EPCFe-8 with Fe-Nx, and EPC-8 without Fe doping are used to activate peroxymonosulfate (PMS) for degrading pollutants. The results show that the PCFe-8/PMS system can produce the most SO4- and exhibit superior removal of azo pollutants, whereas the degradation behavior of non-azo pollutants is more inclined to occur in the EPCFe-8/PMS system and the EPC-8/PMS system. This work provides a reference for elucidating the relationship between catalyst structure and components, types of ROSs, and selective degradation of pollutants.

Selective removal of organic contaminants and ascorbic acid enhancement effect based on the magnetic Fe0/FeS2-doped carbon nanolayer.

Developing highly effective iron-based catalyst to selectively remove organic contaminants has garnered considerable attention. Herein, a magnetic Fe0/FeS2-doped carbon nanolayer (S-Fe@NC) was synthesized through a straightforward one-step pyrolysis method, pyrolyzing a mixture composed of 4,6-dihydroxypyrimidine, trithiocyanuric acid, and FeCl3·6H2O. With the presence of PMS, S-Fe@NC demonstrated the ability to remove almost 100% bisphenol-A (50 µM) within 3 min, attributed to its excellent graphitization degree and high FeS2/Fe0 content. Furthermore, the S-Fe@NC catalyst demonstrated an impressive kobs value of 1.476 min-1, which surpassed the traditional Fenton system by 77 times and even exceeded the commercial Fe0 catalyst by 127 times. More importantly, the S-Fe@NC/PMS system succeeded in selectively removing organic contaminants based on the hydrophobic interaction between catalyst and contaminants. Besides, the result of electron paramagnetic resonance and the radical quenching experiments indicated that ·OH, SO4·-, 1O2, and O2·- were involved in the organic contaminants removal. Interestingly, after adding ascorbic acid (AA) to the S-Fe@NC/PMS system, more ROS could be generated to result in the kobs augmenting by 4.16 times (6.133 min-1), completely different from the common sense that AA was usually used as a radical quencher. Additionally, the magnetically separable catalyst also exhibited excellent reusability and broad pH adaptability (2.0-12.0). This study provided a valuable insight for developing highly selective and effective Fe-based catalyst for practical wastewater treatment.

Enhancement of adsorption of cyanobacteria, Microcystisa aeruginosaby bacterial-based compounds.

In the present study, algicidal bacteria cultivated in an aqueous medium were utilized as a surface modification agent to develop an efficient adsorbent for the removal of Microcystis aeruginosa. The modification considerably enhanced M. aeruginosa cell removal efficiency. Moreover, the introduction of bio-compounds ensured specificity in the removal of M. aeruginosa. Additionally, the cyanotoxin release and acute toxicity tests demonstrated that the adsorption process using the developed adsorbent is environmentally safe. Furthermore, the practical feasibility of the adsorptive removal of M. aeruginosa was confirmed through cell removal tests performed using the developed adsorbent in a scaled-up reactor (50 L and 10 tons). In these tests, the effects of the adsorbent application type, water temperature, and initial cell concentration on the M. aeruginosa removal efficiency were evaluated. The results of this study provide novel insights into the valorization strategy of biological algicides repurposed as adsorbents, and provide practical operational data for effective M. aeruginosa removal in scaled-up conditions.

Selective removal of iron from sulfuric acid leaching solution of aerospace magnetic material scraps by jarosite process.

Aerospace magnetic material scraps are abundant in cobalt and nickel. Sulfuric acid leaching process is an efficient method for extracting them. But it is a non-selective process, a significant amount of iron dissolves in the solution. This study focuses on the selective removal of iron from this solution using the jarosite process. Eh-pH diagram of K-S-Fe-H2O system was established. Based on thermodynamic analysis, H2O2 is used to oxidize Fe2+ into Fe3+, achieving efficient and selective removal of iron from the solution containing cobalt and nickel. The optimal conditions are as follows: temperature 95°C, K2SO4 dosage coefficient 1.5, seed dosage 10 g/L, time 90 min, pH 1.76, and endpoint pH controlled at approximately 3. Under these conditions, the iron removal efficiency is above 99%, while the loss ratios of cobalt and nickel are below 2%. The product is characterized by XRD and SEM-EDS. Results indicate that the product is jarosite ((K,H3O)Fe3(SO4)2(OH)6), exhibiting an ellipsoid structure with the mean particle size in the range of 0.2-5.0 µm. Temperature, pH value and seed dosage significantly affect reaction rate, particle size and crystallinity, and K2SO4 dosage mainly affects reaction rate and the morphology of jarosite. The jarosite crystallization kinetics can be described by the Avrami equation, with an Avrami index (n) of approximately 2.5 and the apparent activation energy of 42.68 kJ/mol.

Comparison of engineered nanoparticle transport in columns of three different lengths: Transport experiments and multi-observation point modeling.

This study focuses on the effectiveness of commonly-used 15 cm column lengths for investigating nanoparticle transport in porous media. Experimental tests examined the transport and retention behaviors of two types of nanoparticles, graphene oxide (GO) and titanium dioxide (TiO2) nanoparticles, in saturated sand columns of different lengths (15, 30 and 45 cm), while considering key environmental factors like ionic strength (IS, 1-50 mM), flow rate (1-3 mL min-1), and grain size (150-850 µm). In the 15 cm columns, both GO and TiO2 transport decreased with higher IS and lower flow rate; grain size affected GO and TiO2 differently. Smaller grain size increased GO retention in the sand columns through straining, thus weakening GO mobility, whereas increased fluid shear force suppressed the ripening of TiO2, enhancing its migration. Similar environmental effects were noted in longer columns (30 and 45 cm), but fitted transport parameters (Smax and k) and predicted long-term mobility (Lmax) indicated that 15 cm columns might underestimate nanoparticle mobility. Blocking and ripening models based on single and multiple observation points to simulate nanoparticle transport and retention showed that predictions aligned well with experimental data. These results indicate that using combinations of columns of different lengths to achieve multiple observation points improves model prediction accuracy; in single-column experiments, the 45 cm and 30 cm columns respectively better predict the mobility range of GO and TiO2 compared to 15 cm columns.

Comparison activity of pure and chromium-doped nickel oxide nanoparticles for the selective removal of dyes from water.

The current study involves a synthesis of a composite of nickel oxide nanoparticles (NiONPs) with a chromium dopant to yield (Cr/NiONPs). Synthesis of nickel oxide was performed by the co-precipitation method. The synthesis of the composite was conducted by the impregnation method. FTIR, EDX, SEM, and XRD were used to characterize the synthesized materials. The synthesised materials' point zero charges (PZC) were performed using the potentiometric titration method. The obtained results show that the PZC for neat nickel oxide was around 5, and it was around 8 for Cr/NiONPs. The adsorption action of the prepared materials was examined by applying them to remove Reactive Red 2 (RR2) and Crystal Violate (CV) dyes from solutions. The outcomes demonstrated that Cr/NiONPs were stronger in the removal of dyes than NiONPs. Cr/NiONPs achieved 99.9% removal of dyes after 1 h. Adsorption isotherms involving Freundlich and Langmuir adsorption isotherms were also conducted, and the outcomes indicated that the most accurate representation of the adsorption data was offered by Langmuir adsorption isotherms. Additionally, it was discovered that the adsorption characteristics of the NiONPs and Cr/NiONPs correspond well with the pseudo-second-order kinetic model. Each of the NiONPs and Cr/NiONPs was reused five times, and the results display that the effectiveness of the removal of RR2 dye slightly declined with the increase in reuse cycles; it lost only 5% of its original efficiency after the 5 cycles. Generally, Cr/NiONPs showed better reusability than NiONPs under the same conditions.

Enhanced humification via lignocellulosic pretreatment in remediation of agricultural solid waste.

Stover and manure are the main solid waste in agricultural industry. The generation of stover and manure could lead to serious environmental pollution if not handled properly. Composting is the potential greener solution to remediate and reduce agricultural solid waste, through which stover and manure could be remediated and converted into organic fertilizer, but the long composting period and low efficiency of humic substance production are the key constraints in such remediation approach. In this study, we explore the effect of lignocellulose selective removal on composting by performing chemical pretreatment on agricultural waste followed by utilization of biochar to assist in the remediation by co-composting treatment and reveal the impacts of different lignocellulose component on organic fertilizer production. Aiming to discover the key factors that influence humification during composting process and improve the composting quality as well as comprehensive utilization of agricultural solid waste. The results demonstrated that the removal of selective lignin or hemicellulose led to the shift of abundances lignocellulose-degrading bacteria, which in turn accelerated the degradation of lignocellulose by almost 51.2%. The process also facilitated the remediation of organic waste via humification and increased the humic acid level and HA/FA ratio in just 22 days. The richness of media relies on their lignocellulose content, which is negatively correlated with total nitrogen content, humic acid (HA) content, germination index (GI), and pH, but positively correlated with fulvic acid (FA) and total organic carbon (TOC). The work provides a potential cost effective and efficient framework for agricultural solid waste remediation and reduction.

Comparative study on Perfluoro(2-methyl-3-oxahexanoic) acid removal by quaternary ammonium functionalized silica gel and granular activated carbon from batch and column experiments and molecular simulation-based interpretation.

Removing perfluoro(2-methyl-3-oxahexanoic) acid (HFPO-DA) in water treatment is hindered by its hydrophobicity and negative charge. Two adsorbents, quaternary-ammonium-functionalized silica gel (Qgel), specifically designed for anionic hydrophobic compounds, and conventional granular activated carbon (GAC) were investigated for HFPO-DA removal. ANOVA results (p â‰ª 0.001) revealed significant effects on initial concentration, contact time, and adsorbent type. Langmuir model-derived capacities were 285.019 and 144.461 mg/g for Qgel and GAC, respectively, with Qgel exhibiting higher capacity irrespective of pH. In column experiments, selective removal of HFPO-DA removal with Qgel was observed; specifically, in the presence of NaCl, the breakthrough time was extended by 10 h from 26 to 36 h. Meanwhile, the addition of NaCl decreased the breakthrough time from 32 to 14 h for GAC. However, in the presence of carbamazepine, neither of the adsorbents significantly changed the breakthrough time for HFPO-DA. Molecular simulations were also used to compare the adsorption energies and determine the preferential interactions of HFPO-DA and salts or other chemicals with Qgel and GAC. Molecular simulations compared adsorption energies, revealing preferential interactions with Qgel and GAC. Notably, HFPO-DA adsorption energy on GAC surpassed other ions during coexistence. Specifically, with Cl- concentrations from 1 to 10 times, Qgel showed lower adsorption energy for HFPO-DA (-62.50 ± 5.44 eV) than Cl- (-52.89 ± 2.59 eV), a significant difference (p = 0.036). Conversely, GAC exhibited comparable or higher adsorption energy for HFPO-DA (-18.33 ± 40.38 eV) than Cl- (-32.36 ± 29.89 eV), with no significant difference (p = 0.175). This suggests heightened selectivity of Qgel for HFPO-DA removal compared to GAC. Consequently, our study positions Qgel as a promising alternative for effective HFPO-DA removal, contributing uniquely to the field. Additionally, our exploration of molecular simulations in predicting micropollutant removal adds novelty to our study.