Bromide Concentration Research Articles

Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure

A facile coprecipitation approach was adopted to synthesize zinc selenide (ZnSe) doped with a fixed amount (3 wt%) of cetyltrimethylammonium bromide (CTAB) and different concentrations (2 and 4 wt%) of eudragit to form ternary nanostructure (NSs). Eud and CTAB inhibit the dimension and reduce the rate of recombination of NSs to intensify catalytic performance against rhodamine B (RhB) and bactericidal action against MDR Staphylococcus aureus (S. aureus). Doped ZnSe increase active sites, porosity, and surface area to enhance the degradation of RhB dye and antimicrobial efficacy to kill pathogenic S. aureus. Assessment of 4 wt% Eud/CTAB exhibited effective performance for degradation of RhB and bactericidal potential highlights an impressive 94.3 % degradation efficiency and 8.85 ± 0.05 mm of the inhibition zone against MDR S. aureus. Computational molecular docking studies suggest that NSs, such as Eud/CTAB-doped ZnSe, have the ability to inhibit the DNA gyrase enzyme in MDR S. aureus.

Halogenated Adenine and Adenosine Natural Products in Streptomyces sp. JCM9888

AbstractAscamycin 1 and dealanylascamycin 2 are adenosine containing nucleoside antibiotics carrying the rare 5’‐O‐sulfamoyl ribose motif and a chlorine atom attached to C2 of the adenine ring. Gene knockouts (ΔacmK and ΔacmJ) in the producing strain, Streptomyces sp. JCM9888, generated mutants that were disabled in the assembly of the sulfamoyl moiety. This resulted in the production of 2‐chloroadenosine 3 and 2‐chloroadenine 4, indicating that purine halogenation can occur independently of sulfamoylation. Incubations in media enriched in bromide content resulted also in the identification of 2‐bromoadenine 5, 2‐bromoadenosine 6 and 5′‐O‐sulfamoyl‐2‐bromoadenosine 7.

Thermal analysis and modeling of phase equilibria in the NaCl–NaBr–Na2WO4 system

The phase complex of a three-component system of sodium chlorides, bromides and tungstates was studied for the first time using experimental and theoretical methods. It was found that the liquidus surface of the system consists of the crystallization fields of NaBr, Na2WO4, Na3ClWO4 compounds and NaClxBr1–x solid solutions. The differential thermal method of physico-chemical analysis (DTA) revealed the compositions and melting points of eutectic in the quasi–binary and three–component systems NaBr–Na3ClWO4 and NaCl–NaBr–Na2WO4, respectively. To establish the nature of the physico-chemical interaction in the system, three compositions were studied in the secondary triangle NaCl–NaBr–Na3ClWO4 by the DTA method, thermal effects of tertiary crystallization were not recorded on the DTA curves of these compositions, which is proof of the absence of a non-invariant composition in the NaCl–NaBr–Na3ClWO4 simplex. To determine the composition and melting point of the nonvariant composition located in the NaBr–Na2WO4–Na3ClWO4 simplex, a polythermal section located in the field of crystallization of sodium bromide and a nonvariant section emerging from the crystallization pole of sodium bromide passing through the point of joint crystallization of sodium chloride and the compound, with a constant decrease in the content of sodium bromide in the studied compositions before the onset of non-invariant crystallization process. The composition of the three-component eutectic of ED in molar percentages, crystallizing at 560оC with the following component content, has been determined: 7.5% NaCl; 38.5% NaBr; 54% Na2WO4. Based on data on the melting temperatures of the initial salts, compositions and crystallization temperatures of two- and three-component systems, a 3D-model of the “composition–temperature” phase complex in the temperature range 500–700оC was formed using theoretical methods. On the basis of the model, the isotherms of the liquidus surface and the T–x diagram of the polythermal section for which experimental studies were conducted was constructed. Also, as an example of using a 3D-model, the composition of the equilibrium phases released during cooling of an arbitrarily selected figurative point in the temperature range from 700 to 500оC. was calculated.

N-doped titania nanoparticles containing Mo6 bromide and iodide clusters: Activity in photodegradation of rhodamine B and tetracycline

Contamination of water sources is a major environmental problem with far-reaching consequences for humanity. Organic substances are among the most widespread and persistent pollutants. Advanced oxidation processes, especially photocatalysis, have been considered as one of the most promising technologies for organic pollution control. In this study, hybrid photocatalysts based on N-doped TiO2, which exhibits activity in the visible region of the spectrum, and different content of octahedral Mo6 bromide and iodide cluster complexes were synthesized to achieve the highest efficiency of the formed S-scheme photocatalytic system under white light irradiation. According to the data obtained, the resulting materials are nanoparticles with a diameter of ∼10 nm exhibiting absorption up to ∼550 nm. Photocatalytic studies were performed using model organic molecules – the more colored rhodamine B (RhB) and the less colored antibiotic tetracycline (TET). The most active samples showed high efficiencies against both pollutants with keff ∼0.3–0.4 and 0.4–0.5 min−1, respectively, while the activity of iodide complexes was ∼1.3 times higher than that of bromide complexes. The stability of the catalysts is preserved for up to 5 cycles of TET photodegradation.

Simultaneous Oxidation of Bromide and Dissolution of Manganese Oxide Induced by Freezing.

This study demonstrates that the oxidation of bromide by birnessite (δ-MnO2) results in the concurrent production of soluble manganese (Mn(II)) and reactive bromine (RBr) species in frozen solutions, a process not observed in aqueous solutions. This enhanced oxidation in ice is attributed to the concentration of protons, birnessite, or bromide in the ice grain boundary region. Furthermore, different types of commercial manganese oxides can also oxidize bromide to RBr and release Mn(II) in ice. The presence of fulvic acid (FA) further increases the simultaneous production of RBr and Mn(II) in ice, accompanying the formation of organobromine compounds (OBCs). In frozen δ-MnO2/Br-/FA system, a significant increase in OBCs, mainly highly unsaturated and phenolic compounds, was detected using Fourier transform ion cyclotron resonance mass spectrometry. A marked contrast was observed in the number of OBCs formed in frozen solutions (853 and 415 OBCs at initial pH 3.0 and 5.8, respectively) compared to their aqueous counterparts (11 and 23 OBCs). These findings introduce a new pathway for the formation of RBr, Mn(II), and OBCs in ice, highlighting the need for further research on the environmental fate of bromide and manganese.

Increased formation of brominated disinfection by-products and toxicities during low-H2O2-mediated ozonation of reclaimed water

Reusing reclaimed water requires stringent disinfection but inevitably generates disinfection by-products (DBPs). H2O2/O3 treatment is an efficient and environmentally benign disinfection method. For the first time, our bioassay results elucidate that low H2O2/O3 ratio (molar) treated water increased unignorable toxicity effect compared to that of the high H2O2/O3 ratio. To clarify this finding, individual organic brominated DBPs (Br-DBPs), bromate, and adsorbable organic bromine (AOBr) were considered due to their potential risk. Organic Br-DBPs were mainly generated from ozone-induced pathways. Individual organic Br-DBPs were not the primary concern in this scenario because they are typically only produced in observable quantities at bromide concentrations exceeding 500 μg/L, and even then, they often remain below detection limits when treated with H2O2/O3. On the contrary, both bromate and AOBr were detectable at low H2O2/O3 ratios. Furthermore, bromate is produced from HOBr and bromine radicals induced by HO•. Moreover, bromate formation was promoted because of increased HO• formation, particularly at H2O2/O3 ratios <0.24. To prevent HO•-induced pathways from being dominant, higher H2O2/O3 ratios (>0.48) were required. Toxicity assays revealed that AOBr-included organic extracts of ozonated reclaimed water induced more toxic effects. The toxicity induced by the organic fraction resulted from its decreased oxidation level, which was, in turn, driven by the increased formation of bromate. Enhanced toxicity effects were observed when cells were exposed to a bromate and organic extract mixture. It indicates that both the AOBr and bromate present in low-H2O2-O3-treated reclaimed water pose potential risks, and their coexistence further elevates these risks. Increasing the H2O2/O3 ratio markedly decreased the generation of intracellular oxidative substances and oxidative damage. In conclusion, when treated with H2O2/O3, shifting from HO•-induced pathways to ozone-induced pathways by a relatively high H2O2/O3 ratio decreased the amounts of DBPs produced and controlled the toxic effects to ensure the safety of ozonated reclaimed water.

Revisiting the chloramination of phenolic compounds: Formation of novel high-molecular-weight nitrogenous disinfection byproducts

Disinfection is critical for ensuring water safety; however, the potential risks posed by disinfection byproducts (DBPs) have raised public concern. Previous studies have largely focused on low-molecular-weight DBPs with one or two carbon atoms, leaving the formation of high-molecular-weight DBPs (HMW DBPs, with more than two carbon atoms) less understood. This study explores the formation of HMW DBPs during the chloramination of phenolic compounds using a novel approach that combines high-resolution mass spectrometry with density functional theory (DFT) calculations. For the first time, we identified nearly 100 previously unreported HMW nitrogenous DBPs (N-DBPs), with nearly half of those being halogenated N-DBPs. These N-DBPs were tentatively identified as heterocyclic (e.g., pyrrole and pyridine analogs) and coupling heterocyclic N-DBPs. Through detailed structure analysis and DFT calculations, the key formation steps of heterocyclic N-DBPs (monochloramine-mediated ring-opening reactions of halobenzoquinones) and new bonding mechanisms (C–N, C–O, and C–C bonding) of the coupling heterocyclic N-DBPs were elucidated. The selective formation of these novel N-DBPs was significantly influenced by factors such as contact time, monochloramine dosage, pH, and bromide concentration. Our findings emphasize the occurrence of diverse HMW heterocyclic N-DBPs, which are likely toxicologically significant, underscoring the need for further research to evaluate and mitigate their potential health risks in water disinfection.

A case report of elevated bromide levels from pyridostigmine bromide for treatment of myasthenia gravis.

In an effort to expedite the publication of articles, AJHP is posting manuscripts online as soon as possible after acceptance. Accepted manuscripts have been peer-reviewed and copyedited, but are posted online before technical formatting and author proofing. These manuscripts are not the final version of record and will be replaced with the final article (formatted per AJHP style and proofed by the authors) at a later time. Elevated serum bromide levels can cause dermatological, gastrointestinal, and neurological abnormalities. As bromide and chloride are both halogens, bromide may interfere with chloride assays, causing a falsely high serum chloride concentration and a low or negative anion gap. There is a paucity of data describing bromide toxicity from high doses of pyridostigmine bromide (PB). This case report describes a patient with an elevated bromide level with neurological symptoms from a therapeutic dose of PB. A 37-year-old male with myasthenia gravis secondary to type B2 thymoma status following thymectomy presented in myasthenic crisis. He required mechanical ventilation and was managed with steroids, intravenous immune globulin, plasmapheresis, and PB. On day 9, the patient experienced acute agitation. He had an anion gap of 2 mEq/L and a chloride concentration of 109 mEq/L. The plasma creatinine concentration was 0.63 to 1.15mg/dL and urine output was 0.76 to 1.79mL/kg/h throughout his admission. All other laboratory values were normal. The daily dose of PB was 660mg on day 9, but the patient received 76mg of intravenous PB over the first few days of his admission with the largest dose in 24 hours equal to 48mg. On day 10, the patient's bromide level was 37 μg/mL. His agitation was initially managed with quetiapine, followed by PB dose reduction. To our knowledge, there are 2 cases in the literature of bromide toxicity secondary to PB. These patients experienced neurological symptoms with bromide levels of 88 to 90 μg/mL. Bromide concentrations of more than 12 μg/mL are associated with a higher risk of neuronal dysfunction demonstrated as disturbances on an electroencephalogram, and levels greater than 50 μg/mL are considered toxic. While our patient's bromide level was not as high as those previously reported, no other causes for his agitation were identified. Elevated bromide levels from therapeutic PB can occur, and monitoring of these levels should be considered.

Formation and health risk assessment of trihalomethanes in coastal wells impacted by seawater intrusion

The formation of trihalomethanes (THMs) in coastal wells impacted by seawater intrusion (SWI) is relatively understudied. Coastal wells, unlike typical groundwater sources, frequently exhibit elevated levels of chloride and bromide ions, potentially influencing the formation and speciation of THMs. The current study investigated the THM formation in coastal well water from a location affected by SWI. Samples were chlorinated with 2.5 mg L−1 and 5 mg L−1 chlorine doses to replicate field conditions. The THM concentration in the samples exceeded the maximum permissible limit for drinking water. The well with the highest chloride-to-bromide (Cl/Br) ratio (Cl/Br = 645) exhibited the highest total THM concentration (503.2 μg L−1). Samples with high bromide concentration had more brominated THMs over the 5-day reaction period. The bromine substitution factors for wells after 24 h with a chlorine dose of 2.5 mg L−1 were 1.89, 2.21, and 2.78, corresponding to bromide concentrations of 0.098, 0.109, and 1.275 mM, respectively. The average cancer risk associated with the well water was estimated to be 20.9 × 10−06 through dermal contact and 6.84 × 10−04 through inhalation. The study area had an estimated average cancer risk of 705 cases per million population. The study area's common diseases and cancer incidence data for the past four decades indicated a decreasing trend for waterborne diseases and a steep increase in cancers. While several factors may contribute to increasing cancer cases, our study highlights chlorinated coastal well water as an additional potential cancer risk agent.

The experimental study on the (solid + liquid) phase Equilibria for {LiBr (1) + ionic liquid (2) + water (3)} systems

The paper presents experimentally determined (solid + liquid) phase diagrams in the {LiBr (1) + ionic liquid (2) + water (3)} systems. Interpretation of the results and comparison with the literature data for the {LiBr + water} enables the determination of the influence of the ionic liquid on the LiBr solubility in water. It is known that one of the disadvantages of an aqueous lithium bromide solution is the tendency to crystallize, especially with a higher concentration of lithium bromide in the solution. This is one of the problems in absorption refrigeration technology where the aqueous lithium bromide solution is a working fluid commonly used on an industrial scale. One of the possibilities for improving the properties of this system is the use of an additive increasing the solubility of LiBr in water. In this work, the following ionic liquids (ILs): N-(2-hydroxyethyl)ammonium glycolate, N,N-di(2-hydroxyethyl)ammonium glycolate, N,N-di(2-hydroxyethyl)-N-methylammonium glycolate, and N,N,N-tri(2-hydroxyethyl)-ammonium glycolate were considered as an addition to the conventional system. The (solid + liquid) phase diagrams were determined using the dynamic method. Liquid phase range was determined at the absorber operating temperature, T = 303.15 K, and compared to LiBr + water system.

Pourbaix diagrams for iron-chromium alloys in lithium bromide absorption machines

The influence of lithium bromide concentration on the Pourbaix diagrams for iron-chromium alloys is evaluated in this work, which allows for predicting the corrosion to stainless steels exposed to the aggressive operating conditions of lithium bromide absorption machines (concentrations ranging from: 400–992 g/L). The novelty of this work is found in the development of Pourbaix diagrams for the Fe-Cr-Br–-H2O quaternary system in aqueous solutions with a high concentration of lithium bromide, a topic which has not yet been studied. Results show that the corrosion region at acid pH corresponding to the aqueous species FeBr2(aq), FeBr3(aq), Cr+2, CrOH+2, Cr+3 or CrBr+2 shifts to higher pHs with increasing lithium bromide concentration, which decreases the immunity region of iron and chromium and decreases the passivation region of the solid species FeCr2O4, Fe2O3 and Cr2O3.

Environmental impact assessment of dicationic ionic liquids with ammonium-phosphonium cations and amino acid anions

Progress in the development of biodegradable or biobased ionic liquids (ILs) has led to the design of green compounds for several applications. Herein, four biocompatible dicationic ionic liquids (DILs) with ammonium-phosphonium cations and amino acid anions were synthesized and investigated their environmental impact. The structures of the DILs were confirmed by spectral analyses (1H, 13C and 31P NMR). Furthermore, physicochemical properties such as density, viscosity and refractive index were determined. Water content, bromide content and solubility were thereafter determined as the parameters needed for further studies. Subsequently, their antifeedant activity towards economically important pests of grain in storage warehouses: the granary weevil, the confused flour beetle, and the khapra beetle was examined, showing the dependence on structure. Moreover, selected DILs were investigated for toxicity towards white mustard, Daphnia magna, and Artemia franciscana to specify the environmental impact. These studies were complemented by understand the biodegradation of DILs by bacterial communities derived from soil at the agricultural land. The result was DILs with limited environmental footprints that have great potential for further application studies.

Influence of ionic impurities on the dielectric properties of lignin

AbstractLignin is one of the most common biopolymers. The application of the electrophysical properties of the polymer is one of the directions of its use. The effect of impurities potassium bromide with an ionic crystal lattice on the electrophysical properties of lignin has been shown. The study of the frequency dependences of the specific electrical conductivity and the components of the complex dielectric permittivity in the frequency range from 6 × 10−2 to 6 × 107 rad s−1 was carried out. The nonadditivity of the electrophysical properties of the lignin‐potassium bromide system has been shown. It is established that the relaxation time of the π‐electrons of the aromatic rings of lignin depends on the content of potassium bromide in the mixture and varies from 1.6 × 10−7 (100% lignin) to 7.5 × 10−4 s (1% of KBr in mixture). The orientation of the positive charge of potassium atom of the KBr dipole atom to the π‐electrons of the benzene ring of lignin leads to change of high‐frequency relaxation time. This effect can be used in frequency filter to eliminate electronic polarization in the high‐frequency region. Thus, the polarization of ionic impurities has a significant effect on the dielectric properties of lignin in the region of medium and high frequencies of alternating electric field.

Synthesis of high-performance polymethylsilsesquioxane xerogels by improving acid catalytic conditions in aluminum chloride aqueous solution

Organic and inorganic acids are common catalysts to promote the hydrolysis of methyltrialkoxysilanes, but they are challenging to modulate the inherent CH3SiO1.5 backbone of polymethylsilsesquioxane (PMSQ) xerogels. Here, an aluminum chloride aqueous solution is proposed for the first time as an acid catalyst to enhance the hydrolysis of methyltriethoxysilane (MTES). This approach allows the PMSQ xerogels to have a more flexible [-Al-O-]m-[SiO]n backbone structure. The optimal concentration of aluminum chloride and surfactant cetyltrimethylammonium bromide in the MTES sol was 1.069 mmol/L and 0.885 mmol/L, respectively, endowing the as-synthesized PMSQ xerogel with a high compression strength of 0.450 MPa and maximum compression strain of 76.1%. Notably, the tiny incorporation of alumina phase (0.4 mol%) in the Si-O-Si backbone made the PMSQ xerogels hydrophobic up to 400 °C for 1 h in the air. The PMSQ xerogels possessed superior thermal insulation properties (32.0–38.0 mW/(m·K)) and could be processed into desired large-sized shapes.

Disinfection by-product formation potential in response to variability in dissolved organic matter and nutrient inputs: Insights from a mesocosm study

Changes in rainfall patterns driven by climate change affect the transport of dissolved organic matter (DOM) and nutrients through runoff to freshwater systems. This presents challenges for drinking water providers. DOM, which is a heterogeneous mix of organic molecules, serves as a critical precursor for disinfection by-products (DBPs) which are associated with adverse health effects. Predicting DBP formation is complex due to changes in DOM concentration and composition in source waters, intensified by altered rainfall frequency and intensity. We employed a novel mesocosm approach to investigate the response of DBP precursors to variability in DOM composition and inorganic nutrients, such as nitrogen and phosphorus, export to lakes. Three distinct pulse event scenarios, mimicking extreme, intermittent, and continuous runoff were studied. Simultaneous experiments were conducted at two boreal lakes with distinct DOM composition, as reflected in their color (brown and clear lakes), and bromide content, using standardized methods. Results showed primarily site-specific changes in DBP precursors, some heavily influenced by runoff variability. Intermittent and daily pulse events in the clear-water mesocosms exhibited higher haloacetonitriles (HANs) formation potential linked to freshly produced protein-like DOM enhanced by light availability. In contrast, trihalomethanes (THMs), associated with humic-like DOM, showed no significant differences between pulse events in the brown-water mesocosms. Elevated bromide concentration in the clear mesocosms critically influenced THMs speciation and concentrations. These findings contribute to understanding how changing precipitation patterns impact the dynamics of DBP formation, thereby offering insights for monitoring the mobilization and alterations of DBP precursors within catchment areas and lake ecosystems.

A group of emerging heterocyclic nitrogenous disinfection byproducts: Formation and cytotoxicity of halopyridinols in drinking water

Recently, a new group of halopyridinol disinfection byproducts (DBPs) was reported in drinking water. The in vivo developmental and acute toxicity assays have shown that they were more toxic than a few commonly known aliphatic DBPs such as bromoform and iodoacetic acid. However, many pyridinol DBPs with the same main structures but different halogen substitutions were still unknown due to complicated water quality conditions and various disinfection methods applied in drinking water treatment plants. Studies on their transformation mechanisms in drinking water disinfection were quite limited. In this study, comprehensive detection and identification of halopyridinols were conducted, and five new halopyridinols were first reported, including 2-chloro-3-pyridinol, 2,6-dichloro-3-pyridinol, 2-bromo-5-chloro-3-pyridinol, 2,4,6-trichloro-3-pyridinol and 2,5,6-trichloro-3-pyridinol. Formation conditions and mechanisms of the halopyridinols were explored, and results showed that chlorination promoted their formation compared with chloramination. Halopyridinols were intermediate DBPs that could undergo further transformation/degradation with increasing contact time, disinfectant dose, bromide concentration, and pH. The in vitro cytotoxicity of the halopyridinols was evaluated using human hepatocellular carcinoma cells. Results showed that the cytotoxicity of 3,5,6-trichloro-2-pyridinol was the highest (EC50 = 474.3 μM), which was 13.0 and 1.6 times higher than that of 2-bromo-3-pyridinol (EC50 = 6214.5 μM) and tribromomethane (EC50 = 753.6 μM), respectively.

Maximizing photovoltaic performance of all-inorganic perovskite CsSnI3-xBrx solar cells through bandgap grading and material design

In the modern era of technology, worldwide paradigms have been shifted toward the utilization of green energy. Sun energy is the most astonishing eco-friendly resource of energy and can be harnessed with the help of photovoltaic cells. Hybrid (Organic-Inorganic) perovskite solar cells (PSCs) are emerged with incredible photovoltaic (PV) performance. Nevertheless, a significant challenge lies in their lower stability under diverse environmental conditions. To deal with this challenge, all inorganic cesium-based PSC has been studied and analyzed, results improved stability in comparison to hybrid PSC. However, the noxious nature of lead is deleterious to the environment. So, this work primarily aimed, to study lead-free all inorganic tin-based perovskite compound CsSnI3-xBrx, as the main light absorber layer. Further, to elevate the PV performance of PSC, bandgap grading is performed on CsSnI3-xBrx by varying bromide concentration x from 0 to 3. Bandgap grading encourages the absorption of a wide range of the light spectrum, by modulating bandgap (Eg) / affinity(χ) through the distance of the CsSnI3-xBrx layer. Additionally, it enhances light-generated charge carrier separation and collection by end electrodes. In this work, two different strategies have been adopted, linear and parabolic. During linear grading, the impact of variation in x (0 to 3) has been analyzed over the thickness 50–––500 nm in 10 linear steps for CsSnI3-xBrx. The highest PCE fetched from linearly graded layered FTO / CeO2 / CsSnI3-xBrx / CFTS / Gold PSC is 21.68 %. Similarly, in the parabolic graded absorber layer, the influence of change in the bowing factor (0 to 1), has been analyzed relative to different values of x (0 to 3). With improvement in PV performance, the maximum PCE delivered by parabolic-graded PSC is 23.61 %. Additionally, this work extends to check the compatibility of distinct electron transport layers (ETLs) and hole transport layers (HTLs). Upon analysis, it has been found that the best PV performance was obtained while selecting SnO2 / PEDOT as ETL / HTL respectively.

Numerical Prediction Uncertainty and Data Worth Analysis of Solute Transport in an Agricultural Clay Till Setting With Preferential Flow

AbstractWith modern agricultural practices, it is essential to quantify flow and solute transport fluxes by numerical models and associated predictions. A major challenge in modeling preferential flow settings is the ability to constrain the often numerous parameters needed to physically represent these systems. Following this, there is a lack of understanding of what parameters and observations carry the most worth for a model to reduce its prediction uncertainty. Here, first‐order second moment (FOSM) analyses were used for a heavily monitored clay till field with preferential flow to investigate which parameters and observation types contribute the most to reducing the uncertainty of bromide predictions at various depths. Using a multi‐objective regularized optimization approach, a 1‐D preferential flow model was calibrated and subjected to FOSM analyses. Key parameters contributing to the prediction uncertainty of bromide concentrations in 0.25–3 m were limited to the lower boundary condition, the mass transfer coefficient, the hydraulic conductivity of the micro‐ and macropore, the macropore porosity, and the water content at wilting point. The data with the largest worth and ability to reduce the pre‐calibration prediction uncertainty were concentration observations closest to the sought prediction depth, drain concentrations, and averaged water table measurements from the entire field. The post‐calibration prediction uncertainty was increased primarily by removing concentration observations closest to the prediction depths. While this study provided new insights into parameter importance and data worth further research is required to understand if these findings apply broadly to clay till settings (or any soil setting) with preferential flow.

Effect of surfactant on dynamics and gas-liquid mass transfer for single carbon dioxide bubbles

In carbonation reaction, the impact of surfactants on the movement and mass transfer behavior of carbon dioxide bubbles were crucial for the production of high-quality silicon dioxide products. The study employed the Matlab image processing system to investigate the shapes, motion velocities, and rise path of single carbon dioxide bubbles within varying concentrations of cetyltrimethyl ammonium bromide (CTAB) solutions. This exploration aimed to elucidate the effect of CTAB on the movement and mass transfer coefficient (MTRC) of single carbon dioxide bubbles. Alterations in the CTAB solution concentration and bubble sizes significantly influenced the mass transfer and movement characteristics of single carbon dioxide bubbles. The conclusion was drawn through the computation of the MTRC of single carbon dioxide bubbles in deionized water and CTAB solutions: the addition of CTAB significantly reduced the mass transfer efficiency of carbon dioxide in deionized water, with the MTRC of CTAB solutions decreasing as the solution concentration increased. Utilizing the stagnant cap model, it can be concluded that CTAB's reduction of the MTRC of carbon dioxide was attributed to the high viscosity of the medium, low bubble velocity, stable flow conditions, and intensified adsorption degree of CTAB molecules at the gas-liquid interface. According to the significant periodic trajectories of single carbon dioxide bubbles in the stable range, the correlation between the trajectories of compressible bubbles in surfactant solution and mass transfer in liquid phase was established, and the previous method based on rigid sphere model was modified. The paper proposed the mechanism of CTAB's influence on single carbon dioxide bubbles, offering crucial theoretical insights into the industrial application of surfactants in the carbonation process for producing silicon dioxide.

Sunlight enhanced the formation of tribromomethane from benzotriazole degradation during the sunlight/free chlorine treatment in the presence of bromide

The coexistence of free chlorine and bromide under sunlight irradiation (sunlight/FC with Br−) is unavoidable in outdoor seawater swimming pools, and the formation of brominated disinfection byproducts could act more harmful than chlorinated disinfection byproducts. In this study, benzotriazole was selected as a model compound to investigate the degradation rate and the subsequent formation of disinfection byproducts via sunlight/FC with Br− process. The rate constants for the degradation of benzotriazole under pseudo first order conditions in sunlight/FC with Br− and sunlight/FC are 2.3 ± 0.07 × 10−1 min−1 and 6.0 ± 0.7 × 10−2 min−1, respectively. The enhanced degradation of benzotriazole can be ascribed to the generation of HO•, bromine species, and reactive halogen species (RHS) during sunlight/FC with Br−. Despite the fact that sunlight/FC with Br− process enhanced benzotriazole degradation, the reaction results in increasing tribromomethane (TBM) formation. A high concentration (37.8 μg/L) of TBM was detected in the sunlight/FC with Br−, which was due to the reaction of RHS. The degradation of benzotriazole was notably influenced by the pH value (pH 4 − 11), the concentration of bromide (0 − 2 mM), and free chlorine (1 − 6 mg/L). Furthermore, the concentration of TBM increased when the free chlorine concentrations increased, implying the formation potential of harmful TBM in chlorinated seawater swimming pools.