Adsorption Of Pyrene Research Articles

Kinetics analysis of PAHs degradation using SiO2–ZnO nanoparticles and evaluating their antibacterial and antibiofilm efficacy

The adsorption of Polycyclic aromatic hydrocarbons (PAHs) using nanoparticles is gaining significant attention due to the rapid removal or treatment rates. In this study, Silicon Dioxide-Zinc Oxide nanoparticles (SiO2–ZnO NPs) were synthesized to adsorb pyrene. Physicochemical characterization of SiO2–ZnO NPs showed plasmon resonance at 323 nm, agglomeration, irregular dispersion, and diameters of 90–100 nm. FT-IR analysis identified major functional groups on SiO2–ZnO NPs, including alkyne, amine, and isothiocyanate. SiO2–ZnO NPs demonstrated significant pyrene adsorption at pH 5, with 10 μg/mL of SiO2–ZnO NPs and 2 μg/mL of PAHs, performing better under UV irradiation. Two isotherm models, adsorption isotherm and kinetics adsorption, were used to analyze the PAHs adsorption by SiO2–ZnO NPs. Additionally, SiO2–ZnO NPs were tested for antibacterial and antibiofilm activities against both Gram-negative and Gram-positive bacteria. At a concentration of 150 μg/mL, SiO2–ZnO NPs produced inhibition zones of 21.57 mm, 20.30 mm, 19.30 mm, and 11.30 mm against Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Klebsiella pneumoniae, respectively. They also inhibited and disrupted biofilms of Micrococcus luteus and Acinetobacter baumannii. Furthermore, SiO2–ZnO NPs exhibited photocatalytic degradation of lead, achieving 68.24% degradation within 5 h of treatment. Therefore, SiO2–ZnO NPs are efficient candidates for multiple applications, including pyrene adsorption, bacterial biofilm disruption, and lead degradation under sunlight.

Adsorption of Pyrene and Arsenite by Micro/Nano Carbon Black and Iron Oxide.

Polycyclic aromatic hydrocarbons (PAHs) and arsenic (As) are common pollutants co-existing in the environment, causing potential hazards to the ecosystem and human health. How their behaviors are affected by micro/nano particles in the environment are still not very clear. Through a series of static adsorption experiments, this study investigated the adsorption of pyrene and arsenite (As (III)) using micro/nano carbon black and iron oxide under different conditions. The objectives were to determine the kinetics and isotherms of the adsorption of pyrene and As (III) using micro/nano carbon black and iron oxide and evaluate the impact of co-existing conditions on the adsorption. The microstructure of micro/nano carbon black (C 94.03%) is spherical-like, with a diameter of 100-200 nm. The micro/nano iron oxide (hematite) has irregular rod-shaped structures, mostly about 1 µm long and 100-200 nm wide. The results show that the micro/nano black carbon easily adsorbed the pyrene, with a pseudo-second-order rate constant of 0.016 mg/(g·h) and an adsorption capacity of 283.23 μg/g at 24 h. The micro/nano iron oxide easily adsorbed As (III), with a pseudo-second-order rate constant of 0.814 mg/(g·h) and an adsorption capacity of 3.45 mg/g at 24 h. The mechanisms of adsorption were mainly chemical reactions. Micro/nano carbon black hardly adsorbed As (III), but its adsorption capability for pyrene was reduced by the presence of As (III), and this effect increased with an increase in the As (III) concentration. The adsorbed pyrene on the micro/nano black carbon could hardly be desorbed. On the other hand, the micro/nano iron oxide could hardly adsorb the pyrene, but its adsorption capability for As (III) was increased by the presence of pyrene, and this effect increased with an increase in the pyrene concentration. The results of this study provide guidance for the risk management and remediation of the environment when there is combined pollution of PAHs and As.

Comparative investigation of naphthalene and pyrene adsorption by modified nanocellulose with titanium oxide

Comparative investigation of naphthalene and pyrene adsorption by modified nanocellulose with titanium oxide

Single and Competitive Adsorption of Naphthalene, Phenanthrene, and Pyrene on Polystyrene Nanofibers.

In this investigation, polystyrene (PS) nanofibers were prepared by electrospinning for the adsorption of naphthalene (Nap), phenanthrene (Phe), and pyrene (Pyr) from an aqueous solution. Surface morphology and physicochemical characteristics of PS nanofibers were analyzed using Fourier transform infrared spectroscopy (FT-IR) and point-of-zero-charge calorimetry (pHpzc). The effects of pH, ion concentration, and temperature on the adsorption were also investigated. The adsorption mechanism of target pollutants on PS nanofibers was investigated by a batch adsorption method. The adsorption kinetic studies showed that the adsorption of the three polycyclic aromatic hydrocarbons (PAHs) on PS nanofibers conformed to the pseudo-second-order kinetic model in both single and ternary systems. Meanwhile, in a single system, the three PAHs adsorbed on nanofibers were controlled by both intraparticle diffusion and liquid film diffusion, whereas the adsorption of Nap in a ternary system was controlled mainly by intraparticle diffusion, and the adsorption of Phe and Pyr was controlled mainly by liquid film diffusion. The isotherm data indicated that the Freundlich model performed better than the Langmuir model for the adsorptions of Nap, Phe, and Pyr on PS nanofibers in both the single system and the ternary system. Due to competitive adsorption, the adsorption capacities of Nap and Pyr on PS nanofibers decreased from 105.816 and 19.098 mg g-1 in the single system to 23.626 and 12.126 mg g-1 in the ternary system, but the adsorption of Phe was not affected. π-π interactions and pore filling may be jointly involved in the adsorption of PAHs on PS nanofibers.

Incorporation of N-doped biochar into submicron zero-valent iron for efficient peroxydisulfate activation in soil remediation: Performance and mechanism

The development of strategic methods to enhance the catalytic reactivity and electron efficiency of biochar-modified zero-valent iron (BC-ZVI) via mechanochemistry is highly important and desirable for the use of peroxydisulfate-based advanced oxidation processes (PDS-AOPs) in soil remediation. Herein, novel amphiphilic ball-milled N-doped biochar-ZVI composites (NBC-ZVIbm) were fabricated to activate PDS for efficient pyrene degradation in soil. The N-doped site- and alloying heterojunction-induced surface charge redistribution, directional electron transfer, and amphiphilicity of NBC-ZVIbm were verified, all of which improved the interactions among NBC-ZVIbm, PDS and pyrene. Specifically, NBC incorporation optimized PDS oxidation and pyrene adsorption on NBC-ZVIbm, forming a reaction center that efficiently accelerated the reaction. As a result, 95.5 % of 98.3 mg/kg pyrene in soil was degraded by NBC-ZVIbm/PDS within 7 d, which was 2.3 and 1.5 times greater than that of ball-milled ZVI and BC-ZVIbm, respectively; additionally, the electron efficiency of this process increased to 85.2 %. Characterization of the reaction process suggested that NBC incorporation induced directional electron transfer from ZVI to NBC for PDS activation and SO4•- generation. Subsequently, the amphiphilicity of NBC-ZVIbm promoted soil phase-pyrene desorption and migration, thereby increasing pyrene degradation. This NBC-incorporation method provides a strategy for constructing highly efficient ZVI-based catalysts for the use of PDS-AOPs in soil remediation.

Adsorption-solubilization controlled extraction of pyrene from surfactant solutions by graphene oxide

Graphene and its derivatives such as graphene oxide (GO) has attracted increasing attention in water treatment because of its unique physical and chemical properties. Herein, the adsorption performance of GO for a typical polycyclic aromatic hydrocarbon (PAH), pyrene from solutions of either a non-ionic surfactant Tergitol 15-S-7 or an anionic surfactant sodium dodecyl benzene sulphonate (SDBS) is investigated. It demonstrates that the high affinity of GO to pyrene leads to multi-layer adsorption of pyrene, with an adsorption capacity 2 to 3 times of its own weight at a low GO concentration of 3.9 mg/L. Linear two-zone pyrene adsorption isotherms are identified, which should be due to competitive adsorption-solubilization processes of pyrene. Although Tergitol 15-S-7 has a considerably higher solubilization capacity (affinity) for pyrene compared to SDBS, faster adsorption kinetics, larger solid-liquid distribution coefficients, and higher recovery of pyrene from Tergitol 15-S-7 solutions are achieved. The higher affinity of SDBS to GO leads to its competitive adsorption that impairs the adsorption of pyrene by GO. Furthermore, the GO demonstrates excellent adsorption capacity for pyrene even after 5 recycling cycles.

Fabrication and characterization of manganese dioxide (MnO2) nanoparticles and its degradation potential of benzene and pyrene

MnO2 nanoparticles have a wide range of applications, including catalytic abilities due to their oxygen reduction potential. Industrial processes and the burning of organic materials released PAHs into the biosphere which have adverse effects on living organisms when continually exposed. In this study, MnO2 nanoparticles were synthesized chemically using sodium thiosulphate as reducing agent. MnO2 nanoparticles were characterized using UV–visible adsorption spectroscopy and Fourier Transform Infrared Spectroscopy (FTIR). A X-Ray Diffraction Spectrophotometer (XRD), a Scanning Electron Microscopy - Energy Dispersive X-Ray Analyzer (SEM-EDAX), and Dynamic Light Scattering (DLS) were used to identify the crystalline nature and particle size of the fabricated MnO2 nanoparticles. Batch adsorption studies were conducted to identify the optimal conditions for better benzene and pyrene adsorption from aqueous solution using MnO2 nanoparticles. They are also effective in degrading benzene and pyrene by batch adsorption as determined by their adsorption isotherms and kinetics.

Pyro-Catalytic Degradation of Pyrene by Bentonite-Supported Transition Metals: Mechanistic Insights and Trade-Offs with Low Pyrolysis Temperature.

Transition metal catalysts can significantly enhance the pyrolytic remediation of soils contaminated with polycyclic aromatic hydrocarbons (PAHs). Significantly higher pyrene removal efficiency was observed after the pyrolytic treatment of Fe-enriched bentonite (1.8% wt ion-exchanged content) relative to natural bentonite or soil (i.e., 93% vs 48% and 4%) at the unprecedentedly low temperature of 150 °C with only 15 min treatment time. DFT calculations showed that bentonite surfaces with Fe3+ or Cu2+ adsorb pyrene stronger than surfaces with Zn2+ or Na+. Enhanced pyrene adsorption results from increased charge transfer from its aromatic π-bonds to the cation site, which destabilizes pyrene allowing for faster degradation at lower temperatures. UV-Vis and GC-MS analyses revealed pyrene decomposition products in extracts of samples treated at 150 °C, including small aromatic compounds. As the pyrolysis temperature increased above 200 °C, product distribution shifted from extractable compounds to char coating the residue particles. No extractable byproducts were detected after treatment at 400 °C, indicating that char was the final product of pyrene decomposition. Tests with human lung cells showed that extracts of samples pyrolyzed at 150 °C were toxic; thus, high removal efficiency by pyrolytic treatment does not guarantee detoxification. No cytotoxicity was observed for extracts from Fe-bentonite samples treated at 300 °C, inferring that char is an appropriate treatment end point. Overall, we demonstrate that transition metals in clay can catalyze pyrolytic reactions at relatively low temperatures to decrease the energy and contact times required to meet cleanup standards. However, mitigating residual toxicity may require higher pyrolysis temperatures.

A surface-enhanced Raman scattering sensor for the detection of benzo[a]pyrene in foods based on a gold nanostars@reduced graphene oxide substrate.

In this study, a simple and sensitive surface-enhanced Raman scattering (SERS) sensor based on gold nanostars@reduced graphene oxide (AuNS@rGO) was successfully developed for the detection of benzo[a]pyrene in foods. The detection strategy involved benzo[a]pyrene adsorption on reduced graphene oxide, followed SERS detection of adsorbed molecules. Owing to the large electric fields generated by the gold nanostars under laser irradiation, which greatly amplified the Raman signals of benzo[a]pyrene, very high sensitivity for the target analyte was achieved. Under optimized conditions, the SERS sensor exhibited a wide linear detection range for benzo[a]pyrene (from 0.1μgL-1 to 10000μgL-1), with a low limit of detection of 0.0028μgL-1. Chicken samples spiked with benzo[a]pyrene were assayed using the sensor, with recoveries ranging from 89.20% to 100.80%. The benzo[a]pyrene content in roasted mutton sample was quantified using the SERS sensor and a reversed-phase high-performance liquid chromatography method, with similar results being obtained.

Different sorption behaviours of pyrene onto polyethylene microplastics in a binary system with water and a ternary system with water and sediment

Microplastics (MPs) and polycyclic aromatic hydrocarbons (PAHs) are two ubiquitous coexisting pollutants that pose potential threats to the environment and organisms and have attracted increasing attention in recent years. However, the interaction between these two pollutants in water, with and without sediment, and the associated mechanisms have not been fully understood. This study aims to explore differences in the sorption behaviours of pyrene at environmentally realistic concentrations by polyethylene MPs (PE-MPs) in binary (water-MPs) and ternary (water-MPs-sediment) systems and to elucidate the role of sediment in the sorption process. Kinetic and isothermal studies show that sediment acted as a “sponge” to adsorb the vast majority of pyrene at the beginning of the sorption experiment in the ternary system, which behaved differently than in the binary system. The sediment-sorbed pyrene was then gradually released but re-adsorbed by PE-MPs, while the concentration of pyrene in water remained at a steady low level. These findings reveal that PE-MPs exhibited a higher pyrene affinity than sediment and being potential pyrene carriers in aqueous systems. Through sorption kinetics and isotherm models study, it was found that pseudo-second-order (PSO) kinetics (0.9773), Elovich (0.9314) and Henry’s (0.9850) models has the highest R2 value, indicating that chemisorption and hydrophobic interactions were attributed to the sorption process. The present study also demonstrates the competition between sediment and MPs in adsorption of pyrene, and highlights the impact of sediment and MPs in the partitioning of PAHs in aquatic environments, which may change the fate of pollution carried by MPs.

Adsorption of 2-hydroxynaphthalene, naphthalene, phenanthrene, and pyrene by polyvinyl chloride microplastics in water and their bioaccessibility under in vitro human gastrointestinal system

The interaction of microplastics (MPs) and organic pollutants has recently become a focus of investigation. To understand how microplastic residues affect the migration of organic pollutants, it is necessary to examine the adsorption and desorption behavior of organic pollutants on MPs. In this study, integrated adsorption/desorption experiments and theoretical calculations were used to clarify the adsorption mechanism of 2-hydroxynaphthalene (2-OHN), naphthalene (NAP), phenanthrene (PHE), and pyrene (PYR) by polyvinyl chloride microplastics (PVC-MPs). Based on the phenomenological mathematical models, the rate-limiting step for analyte adsorption onto PVC-MPs was adsorption onto active sites (R2 = 0.865–0.995). Except for PHE, analyte adsorption isotherms were well described by the Freundlich model (R2 = 0.992–0.998), and adsorption thermodynamics showed that analyte adsorption on PVC-MPs was a spontaneous exothermic process (ΔH0 < 0; ΔG0 < 0). Based on the order of adsorption efficiency of 2-OHN < NAP < PHE < PYR, which is identical to the competitive adsorption experiment, polycyclic aromatic hydrocarbon (PAH) adsorption on PVC-MPs increased as the aromatic ring number increased and the hydroxyl content decreased. The release of 2-OHN (49 %–52 %) from PVC-MPs into the simulated gastrointestinal environment was greater than that of NAP (5.5 %–5.7 %). Theoretical calculations and adsorption tests indicated that hydrophobic interaction was the primary influence on the adsorption of PAHs and their hydroxylated derivatives by PVC-MPs. These findings improve our understanding of MPs' behavior and dangers as pollutant carriers in the aquatic environment and help us develop recommendations for the pollution control of MPs.

Sulfide- and UV-induced aging differentially affect contaminant-binding properties of microplastics derived from commercial plastic products

Microplastics in the environments can undergo various aging processes that alter their physicochemical properties and consequently their affinities for environmental contaminants. Here, we compare the effects of sulfide-induced aging (a common process in anoxic environments) and UV-induced aging on contaminant binding of polypropylene (PP), polystyrene (PS) and polyethylene terephthalate (PET) microplastics derived from commercial plastic products. The two aging processes differentially affect adsorption of pyrene (a model nonionic, nonpolar organic) and ciprofloxacin (CIP, a zwitterion under the conditions tested) by modulating the hydrophobicity, surface charges and polarity of the microplastics to different extents. The effects of the two treatments on Cd(II) adsorption correlate well with their modulation on ζ potential and surface (O + S)/C ratio of the microplastics. For all three microplastics sulfide treatment results in stronger adsorption of Cr(VI) and its subsequent conversion to Cr(III) than does UV treatment, as the thiol groups formed during sulfide treatment strongly regulate the complexation and reduction of Cr(VI). Notably, both sulfide and UV treatments result in the flattening of the PET microplastics, significantly enhancing the adsorption of all four contaminants, by increasing surface area for adsorption. The findings of this study further underline the importance of understanding environmental aging/weathering processes of microplastics, particularly, those readily occur in anoxic environments but were previously not well studied.

Optimization of Composite Decolorizer Efficacy Based on Decolorization Efficiency, Toxicity, and Nutritional Value of Rice Bran Oil.

This study compared the effect of five different adsorbents (activated clay, activated carbon, attapulgite clay, bentonite, diatomite) on the levels of nutrients, harmful substance retention, and decolorization in rice bran oil. Among the adsorbents tested, activated carbon displayed the highest decolorization efficiency (82.90%) and adsorption effect on 3,4-benzopyrene (BaP, 89.53%) and 3-monochloropropane-1,2-diol ester (41.55%), whereas activated clay had the highest oryzanol retention percentages (85.98%) and affordability. Activated carbon and activated clay were therefore selected as composite decolorizing agents. Based on single-factor and Box-Behnken response surface tests, the optimal conditions for decolorization efficiency (97.08%), oryzanol retention (89.62%), sterol retention (90.16%), vitamin E retention (79.91%), and benzo(a)pyrene adsorption percentages (95.98%) were determined to be achieved by using a 5% (w/w) composite decolorant (activated clay:activated carbon=5:1), at a temperature of 116℃, with an incubation time of 33 min. This study provides evidence to support the efficacy of compound decolorants, which may have practical use in large-scale industrial applications of edible oil decolorization during refinement.

Highlighting the Protective Role of Coastal Rivers: Dynamics of Adsorption and Desorption of Naphthalene and Pyrene of Lebna River Sediments (N-E Tunisia)

Highlighting the Protective Role of Coastal Rivers: Dynamics of Adsorption and Desorption of Naphthalene and Pyrene of Lebna River Sediments (N-E Tunisia)

Influence mechanism of organic matter and low-molecular-weight organic acids on the interaction between minerals and PAHs

Investigate the effect of soil organic matter (SOM) and low molecular weight organic acids (LMWOAs) on minerals adsorption of PAHs. Batch adsorption experiments have been carried out to study the adsorption of PAHs (Naphthalene (NaP), Phenanthrene (Phe) and Pyrene (Pyr)) by minerals (Montmorillonite (Mnt), kaolinite (Kln) and calcite (Cal)). This research found that compared with Kln and Cal, Mnt showed the maximum adsorption capability for PAHs. And the order of PAHs adsorption by Mnt was: Pyr > Phe > Nap, which corresponds to the octanol-water partition coefficient (Kow) of different PAHs. The adsorption kinetic and isotherm were well fitted by Pseudo-second-order kinetic model, Freundlich and Linear isotherm model. Furthermore, inorganic ions (Ca2+) impacted PAHs adsorption by competitive adsorption and cation-π interactive. Cal has the maximum desorption of PAHs among three minerals, and there was desorption hysteresis phenomenon. Field emission-scanning electron microscope (Fe-SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) analysis indicated that SOM enhanced the sorption of PAHs by van der Waals, hydrogen bonding, π-π interactions, and chemical bonding. LMWOAs significantly inhibited PAHs adsorption and promote PAHs desorption from the minerals. As a result, LMWOAs increased of PAHs bioavailability, which provide a new strategy to improve PAHs cleanup efficiency.

Differences in adsorption, transmembrane transport and degradation of pyrene and benzo[a]pyrene by Bacillus sp. strain M1

In a previous study our group identified Bacillus sp. strain M1 as an efficient decomposer of high molecular weight-polycyclic aromatic hydrocarbons (HMW-PAHs). Interestingly, its removal efficiency for benzo[a]pyrene (BaP) was nearly double that of pyrene (Pyr), which was the reverse of what is reported for most other species. Here we compared the differential steps of biosorption, transmembrane transport and biodegradation of Pyr and BaP by strain M1 in order to assist in targeted selection of dominant strains and their degradation efficiency in the remediation of these two HMW-PAHs. The overall biosorption efficiency for BaP was 19% higher than that for Pyr, and the time needed to reach BaP peak adsorption efficiency was 4 days shorter than for Pyr. Transmembrane transport of the PAHs was compared in presence of sodium azide which inhibits ATP synthesis and metabolism. This indicated that both Pyr and BaP entered the cells by the same means of passive transport. Biodegradation of Pyr and BaP did not differ in the early stage of culture, but around days 5–7, the biodegradation efficiency of BaP was significantly (30–61%) higher than that of Pyr. Key enzymes involved in these processes were identified and their activity differed, with intracellular gentisate 1,2-dioxygenase and extracellular polyphenol oxidase as likely candidates to be involved in BaP degradation, while intracellular catechol-1,2- dioxygenase and salicylate hydroxylase are more likely involved in Pyr degradation. These results provide new insights for sustainable environmental remediation of pyrene and benzo(a)pyrene by these bacteria.

Pyrene and lead transport in unsaturated soil at two different water saturations

ABSTRACT In the present paper, we focus on the study of the transport of mixtures of inorganic and organic compounds (Pyrene and lead) on unsaturated soil at two different water saturations. The soil used is a mixture of sand, clay, and organic matter. The transport of solutes exhibiting different sorption characteristics under steady-state conditions at 0.3 and 0.21 volumetric water contents (VWC) of the porous medium was experimentally investigated in a column. The Thomas model and the two-site first-order approach were used for modeling the adsorption/desorption steps. As the first results, the adsorption and desorption of mono- compound show a strong fixation of the lead than for the pyrene. In addition, the coexisting pollutant tests show the decrease of the lead and pyrene adsorption on soil and the decrease in lead retention after the desorption step. Tests with lower VWC show enhancement of lead adsorption with the multipollutant condition. The model approach shows that the equilibrium condition is not appropriate for all tests even for the lead adsorption.

Pyrene adsorption on the surface of an iron oxide nanoparticle: A ReaxFF molecular dynamics study

In this work, pyrene adsorption on the surface of a 2-nm iron oxide nanoparticle over the temperature range of 600–2500 K is studied by ReaxFF molecular dynamics simulations. The initial configuration of the iron oxide nanoparticle is determined based on the morphology of particles generated from ethylene pyrolysis with the addition of ferric chloride at 1673 K. The simulation results show that pyrene can be either physically or chemically adsorbed on the surface of the iron oxide nanoparticle to form a core-shell structure, as observed in the experiment. At relatively low temperatures, from 600 to 1200 K, pyrene dimers are produced before they get physically adsorbed on the nanoparticle surface. By contrast, at high temperatures from 2000 to 2500 K, pyrene loses a hydrogen atom through H abstraction by the oxygen atom of the iron oxide, and the pyrenyl radical subsequently attaches to the iron atom to form a C-Fe bond. As to the intermediate temperature range of 1200–2000 K, both physical and chemical adsorptions can occur.

Quantitative assessment of the contribution of soil organic matter functional groups and heteroatoms to PAHs adsorption based on the COSMO-RS model

Soil organic matter (SOM) is considered as a pivotal factor influencing the adsorption of pollutants. However, few prior quantitative investigations of the SOM functional group distribution to the contaminants' fate have been conducted. In this paper, the SOM cluster method based on COSMO-RS theory has been conducted to illustrate the chemical composition variables of SOM that affect the polycyclic aromatic hydrocarbons (PAHs) fate in quantitative terms. In the theoretical simulations, the contributions of carbonyl, carboxyl, aromatic, oxyalkyl and aliphatic groups in SOM to phenanthrene (Phe) and pyrene (Pyr) adsorption are evaluated by calculating the partition coefficients (LogP). The results show that the increase in oxyalkyl content leads to a decrease in LogP. Inversely, carbonyl and carboxyl groups of SOMs positively associated with Phe adsorption. The changes in aromatic and alkyl components have a similar magnitude of influence on LogP. Moreover, the effect of non-carbon-based functional groups in SOM on the Phe partitioning has been examined for the first time. The increase of sulfur and nitrogen content in SOM hinder Phe adsorption, while the rise of phosphorus content promotes the adsorption. In soil adsorption experiments, four natural soils, characterized by X-ray photoelectron spectroscopy (XPS) and Diffuse reflectance infrared Fourier transform (DRIFT), are selected to verify the influence of SOM functional group distribution. Comparing the experimental SOM-water partition coefficient (LogKoc) with the simulation predicted LogP suggests that the COSMO-RS based SOM cluster method can predict PAHs adsorption ability in SOM.

Uncovering strong π-metal interactions on Ag and Au nanosurfaces under ambient conditions via in-situ surface-enhanced Raman spectroscopy

Uncovering strong π-metal interactions on Ag and Au nanosurfaces under ambient conditions via in-situ surface-enhanced Raman spectroscopy