The corrosion inhibition performance of three novel imidazole derivatives namely 2-(4-methoxyphenyl)-4,5-diphenyl-imidazole (M-1), 4,5-diphenyl-2-(p-tolyl)-imidazole (M-2) and ...2-(4-nitrophenyl)-4,5-diphenyl-imidazole (M-3) for J55 steel in CO2 saturated brine solution was studied by weight loss method, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, scanning electrochemical microscopy (SECM), contact angle, scanning electron microscope (SEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and quantum chemical calculation. M-1 exhibited the best inhibition efficiency of 93% at 400 mg/L concentration. The adsorption of the imidazole derivatives obeyed the Langmuir adsorption isotherm. Contact angle measurement reveals the hydrophobic nature of J55 steel in presence of inhibitors. Quantum chemical calculation well supports the experimental results.
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•J55 steel protection in 3.5% NaCl with CO2 in presence of imidazole derivatives.•Tafel curves reveal that the inhibitors are mixed type but anodically dominant.•The inhibitors obey the Langmuir isotherm and Kads and ΔG°ads are also discussed.•Examination of surface morphology by SECM and SEM.•Correlation between experimental and Quantum chemical results.
Different from layered two-dimensional (2D) transition metal dichalcogenides (TMDs), iron dichalcogenides crystallize in the most common three-dimensional pyrite or marcasite structures. Layered iron ...dichalcogenides are rarely reported and little is known about their structures and properties. Here, layered hexagonal phase iron ditelluride FeTe2 (h-FeTe2) nanocrystals are grown on mica by atmospheric pressure chemical vapor deposition (APCVD) method and are fully characterized by various methods. Like other 2D layered TMD materials, the FeTe2 nanoflakes exhibit regular hexagon, half hexagon, or triangle shapes with a controllable thickness of 6–95 nm and lateral length from a few to tens of micrometers. A simple and effective method is used to transfer the FeTe2 nanoflakes from the mica substrate onto any other substrates without quality deterioration by using polystyrene (PS) as a support polymer, which can also be operated in ethanol or ethylene glycol in a glovebox to avoid contact with water and air. Temperature-dependent electrical transport demonstrates that the FeTe2 nanoflake is a semiconductor with a variable range hopping (VRH) conduction, and its nonsaturated linear magnetoresistance (MR) reaches up to 10.4% under magnetic field of 9 T at 2 K, both probably due to its structure disorders. No signature of magnetic ordering is observed down to 2 K. The CVD growth of this layered FeTe2 represents an addition to the extensive library of 2D materials, particularly iron chalcogenides or alloys. Synthesis, properties, and even doping of phase pure h-FeTe2 call for further study in the future.
Compound-specific stable isotope analysis provides an alternative method to insight into the biotransformation mechanisms of diffuse organic pollutants in the environment, e.g., the endocrine ...disruptor herbicide atrazine. Biotic hydrolysis process catalyzed by chlorohydrolase AtzA and TrzN plays an important role in the detoxification of atrazine, while the catalytic mechanism of AtzA is still speculative. To investigate the catalytic mechanism of AtzA and answer whether both enzymes catalyze hydrolytic dechlorination of atrazine by the same mechanism, in this study, apparent kinetic isotope effects (AKIE) for carbon and nitrogen were observed by three
atzA
-harboring bacterial isolates and their membrane-free extracts. The AKIEs obtained from
atzA
-harboring bacterial isolates (AKIE
C
= 1.021 ± 0.010, AKIE
N
= 0.992 ± 0.003) were statistically different from that of
trzN
-harboring strains (AKIE
C
= 1.040 ± 0.006, AKIE
N
= 0.983 ± 0.006), confirming the different activation mechanisms of atrazine preceding to nucleophilic aromatic substitution of Cl atom in actual enzymatic reaction catalyzed by AtzA and TrzN, despite the limitation of variable dual-element isotope plots. The lower degree of normal carbon and inverse nitrogen isotope fractionation observed from
atzA-
harboring strains, suggesting AtzA catalyzing hydrolytic dechlorination of atrazine by coordination of Cl and one aromatic N to the Fe
2+
drawing electron density from carbon-chlorine bond that facilitating the nucleophilic attack, rather than in TrzN case that protonation of aromatic N increasing nucleophilic substitution of Cl atom. This study suggests considering the potential influences of phylogenetic diversity of bacterial isolates and evolution of enzymes on the applications of CSIA method in future study.
Background
Organochlorine pesticides (OCPs) are currently still threatening the ecological environment and people’s health. However, studies that investigate OCP pollution levels in an urbanized ...river network of an entire city with a high density of rivers, such as Shanghai, have rarely been reported. In addition, due to the pressure of high population densities, ecological risk and health hazard assessments of OCPs in river networks are a knowledge gap that needs to be urgently filled. Thus, in this study, the concentrations, distribution, and partitioning of OCPs are evaluated in an ecological and health risk assessment for the urbanized river network of Shanghai. The goal is to establish connections among OCP residues and establish their impacts on ecological and human health.
Results
The concentrations of 26 OCPs in the urbanized river network of Shanghai ranged from 43.90 to 342.74 ng/L, with a mean value of 181.34 ng/L. Some OCPs formed triangle-shaped areas with higher local ecological risks than other areas, and there were nine OCPs of high risk in some areas. The health risk assessment results showed that the ranking of the incremental lifetime cancer risk (ILCR) for dermal contact according to age and gender was adults > children > seniors > adolescents, and females > males, while the ranking of the ILCR caused by mistaken oral intake was adults > children > adolescents > seniors, and females > males. The non-carcinogenic risk hazard index (HI) values of both exposure routes were less than one.
Conclusion
OCP concentrations in the northern and southern regions of Shanghai were significantly higher than in other regions, and the partition coefficient (
K
p
) values of the ∑
26
OCPs were negatively correlated with the total suspended solids’ (TSS) contents (
p
< 0.01). The ecological risks were relatively higher in agricultural areas. The ILCR for dermal contact and mistaken oral intake were generally low, except for adults, whose ILCR caused by dermal contact were at moderate risk. In addition, OCPs in river waters did not pose significant non-carcinogenic health hazards for a majority of the people.
This paper proposes a novel approach that unifies a demand response (DR) with a master plan of the model predictive control method focusing on scheduling maintenance and replacement for suboptimal ...equipment in real-time solar power plants. By leveraging DR mechanisms and MPC algorithms, our proposed framework starts with understanding the correlation between solar module temperature, surrounding temperature, and irradiation—essential for predicting and optimizing the performance of solar energy installations. It extends to evaluate the DC to AC conversion ratio, which is an indicator of the efficiency of the inverters. This integration enables proactive decisions for repair, maintenance, or replacement of equipment. Through exploratory data analysis using Python, we establish the efficiency and benefits of our anticipated approach in identifying the relationship between the factors that affect solar power generation.
Power loads usually have multiple cycles, and the traditional forecasting methods only use the historical loads under various types of cycles together as input features to construct the forecasting ...model, ignoring the deep features under multiple cycles. The simultaneous inputs will lead to the cycles overlapping and influencing each other, which will be difficult to deal with when building the model. Therefore, this paper proposes a GRO-Bagging day-ahead power curve forecasting model based on multi-cycle feature extraction. First, the multi-periodicity of the power load is analyzed. The one-dimensional time series is converted to two-dimensional according to the multiple cycles of power load. Then, the multi-periodic feature extraction is performed by a multi-size convolutional feature extraction layer with parallel selected based on the data characteristics and modeling mechanism, and Bootstrap Aggregating (Bagging) method is used to construct different prediction models for the datasets containing different periodic features; finally, Gold Rush Optimization (GRO) algorithm is introduced and improved by using the Tent chaotic mapping and elite strategy, and the improved optimization algorithm is used for the weight optimization of the model, the error feedback mechanism is introduced to achieve the weight dynamic Updating. To prove the superiority of the proposed model, a series of comparison experiments and ablation experiments are carried out on real datasets, and the results show that the proposed method has higher prediction accuracy, and prove that the multi-period feature extraction and dynamic weighting methods have a positive and active effect on load prediction.
In this work, a series of functionalized phosphonium-based deep eutectic solvents (DESs) were prepared, and the solubility of CO
2
in DESs was determined at temperatures from 303.15 K to 333.15 K and ...pressures from 200 to 2500 kPa. The experimental results show that the addition of carboxyl, hydroxyl, or amino functional groups to the alkyl chain of phosphonium-based ionic liquid (IL) can improve the solubility of CO
2
in DESs. With the use of the nonrandom two-liquid (NRTL) model, the solubility data for the {CO
2
+ DESs} system were correlated, and the average relative deviation (ARD%) between the calculated and experimental values was less than 5%. The maximum absorption of CO
2
was shown by 1-carboxyethyltributylphosphonium bromide–diethylene glycol (P
4,4,4,2
COOHBr-DEG), whose mole fraction of CO
2
was 0.5335 at 303.15 K and 2500 kPa. At the same time, P
4,4,4,2
COOHBr-DEG can still maintain high-CO
2
absorption performance after five cycles of absorption and desorption, indicating that the DES had good cycle stability. In addition, the interaction energy between CO
2
and four DESs was determined by density functional theory (DFT), and the chemical bond and weak interaction were revealed by interaction region indicator (IRI), to clarify the absorption mechanism.
The separation of dimethyl carbonate (DMC) and methanol is of great significance in industry. In this study, ionic liquids (ILs) were employed as extractants for the efficient separation of methanol ...from DMC. Using the COSMO-RS model, the extraction performance of ILs consisting of 22 anions and 15 cations was calculated, and the results showed that the extraction performance of ILs with hydroxylamine as the cation was much better. The extraction mechanism of these functionalized ILs was analyzed by molecular interaction and the σ-profile method. The results showed that the hydrogen bonding energy dominated the interaction force between the IL and methanol, and the molecular interaction between the IL and DMC was mainly Van der Waals force. The molecular interaction changes with the type of anion and cation, which in turn affects the extraction performance of ILs. Five hydroxyl ammonium ILs were screened and synthesized for extraction experiments to verify the reliability of the COSMO-RS model. The results showed that the order of selectivity of ILs predicted by the COSMO-RS model was consistent with the experimental results, and ethanolamine acetate (MEAAc) had the best extraction performance. After four regeneration and reuse cycles, the extraction performance of MEAAc was not notably reduced, and it is expected to have industrial applications in the separation of methanol and DMC.
Energy Internet is a complex nonlinear system. There are many stakeholders in the load trading market, which is usually regarded as a multi-player gaming. Although gaming theory has been introduced ...to solve Multivariate Load trading problems, different conditions should be considered to accurately optimize the multivariate load trading problem. For example, the selling side needs to reduce the reserve capacity and improve profits, but the consumer side needs to reduce costs and minimize the impact on its own electricity consumption. These contradictory conditions require multiple Nash equilibrium to achieve obviously. To address this issue, a unified architecture of the power system cloud trading is constructed in this paper, which is combined with the multiple load classification of the power system. In addition, according to the power market operation mechanism, a price-guided multivariate load trading game strategy is designed. More importantly, a multivariate load trading optimization method based on LSTM (Long Short-Term Memory) and gaming theory is proposed in this work. LSTM is introduced for real time prediction, which can be combined with the game theory for strategy searching. The global stability and optimal solution theory prove the feasibility of the proposed neural network, and finally the effectiveness of the proposed method is verified by using numerical simulation.
When participating in demand response, the industrial adjustable load has the advantages of large capacity, high benefit, and easy management compared with commercial and residential loads. However, ...the stage of the production process is strongly coupled with the power consumption process, especially in the steel industry. Here, a multi‐objective optimization model for the optimal scheduling of hot rolling load considering the actual production operation conditions was proposed, the model was ed into a vehicle routing problem (VRP) ,which is a typical combinatorial optimization problem .To minimize the cost of electricity and the risk of delivery order default, this paper considered the jump penalty value between adjacent slabs simultaneously, constructed an integrated scheduling model of hot rolling shop scheduling and power demand response, and designed a multi‐objective production scheduling algorithm based on NSGA‐II to solve the problem. The results showed that the proposed method can realize the reasonable distribution of production load under the constraints of electricity price and production.
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