Enhanced ozonation degradation of atrazine in the presence of nano-ZnO: Performance, kinetics and effects

Enhanced ozonation degradation of atrazine (ATZ) with nano-ZnO (nZnO) as catalyst and the influences of the operational parameters have been investigated through semi-continuous experiments in this study. The results demonstrated that the combination of ozone (O₃) and nZnO showed an obvious synergetic effect and the ATZ degradation conformed to pseudo-first-order kinetics. An improvement of ATZ degradation efficiency by 41.8% and pseudo-first-order rate constant by more than a factor of four was obtained in the O₃/nZnO process after 5 min of reaction compared to O₃ alone. Meanwhile, the degradation efficiency of ATZ was gradually enhanced with increasing nZnO dosage and initial pH in the range from 3.0 to 8.0, and a higher amount of ATZ was degraded when the initial concentration of ATZ rose from 0.5 to 5 mg/L. Additionally, sulfate ion, chloride ion, nitrate ion and low concentrations of humic acid substances led to enhancement of the ATZ degradation. The notable decrease of ATZ removal efficiency observed in the presence of radical scavengers and the results of free radical tests indicated that OH is the dominant active radical species. The mechanism investigation demonstrated that the enhancement effect could be attributed to the introduction of nZnO, which could promote the utilization of O₃, enhance the formation of superoxide radical, and further accelerate the production of hydrogen peroxide and the generation of OH/O₂-.     

Towards sustainable consumption: Predicting the impact of social‐psychological factors on energy conservation intentions in Northern Cyprus

The incessant demand and consumption of energy services among individuals’ is increasing throughout the world. Individuals’ electricity consumption in Northern Cyprus has risen considerably. However, the demand for electrical energy services on the island is heavily reliant on imported fossil fuels. Burning fossil fuels has adverse effects on its environment. Therefore, sustainable energy consumption is required and individuals are targeted for energy conservation to reduce electricity consumption. Against this background, using the Structural Equation Modeling approach, this research incorporates social‐psychological factors; personal norms, positive and negative emotions into the theory of planned behaviour (TPB) model to assess the relationships among the variables, explain their impact on consumers’ electricity conservation intentions and enhance the explanatory power of the model. Data was conveniently obtained from a quantitative sample of 400 electricity consumers. The results indicate that negative emotions have the strongest significant influence on intentions, but personal norms have the least effect on intentions to save electricity. Furthermore, the study revealed that our expanded TPB model can provide improved explanatory power more than the original TPB. Policy implications, limitations and future research are discussed.     

Role of interfacial electron transfer reactions on sulfamethoxazole degradation by reduced nontronite activating H2O2

It has been documented that organic contaminants can be degraded by hydroxyl radicals ( • OH) produced by the activation of H₂ O₂ by Fe(II)-bearing clay. However, the interfacial electron transfer reactions between structural Fe(II) and H 2 O 2 for • OH generation and its effects on contaminant remediation are unclear. In this study, we first investigated the relation between • OH generation sites and sulfamethoxazole (SMX) degradation by activating H₂O₂ using nontronite with different reduction extents. SMX (5.2–16.9 μmol/L) degradation first increased and then decreased with an increase in the reduction extent of nontronite from 22% to 62%, while the • OH production increased continually. Passivization treatment of edge sites and structural variation results revealed that interfacial electron transfer reactions between Fe(II) and H 2 O 2 occur at both the edge and basal plane. The enhancement on basal plane interfacial electron transfer reactions in a high reduction extent rNAu-2 leads to the enhancement on utilization efficiencies of structural Fe(II) and H 2 O 2 for • OH generation.However, the • OH produced at the basal planes is less efficient in oxidizing SMX than that of at edge sites. Oxidation of SMX could be sustainable in the H 2 O 2 /rNAu-2 system through chemically reduction. The results of this study show the importance role of • OH generation sites on antibiotic degradation and provide guidance and potential strategies for antibiotic degradation by Fe(II)-bearing clay minerals in H 2 O 2 -based treatments.     

Assessing the role of mineral particles in the atmospheric photooxidation of typical carbonyl compound

Mineral particles are ubiquitous in the atmosphere and exhibit an important effect on the photooxidation of volatile organic compounds (VOCs). However, the role of mineral particles in the photochemical oxidation mechanism of VOCs remains unclear. Hence, the photooxidation reactions of acrolein (ARL) with OH radical (OH) in the presence and absence of SiO₂ were investigated by theoretical approach. The gas-phase reaction without SiO₂ has two distinct pathways (H-abstraction and OH-addition pathways), and carbonyl-H-abstraction is the dominant pathway. In the presence of SiO₂, the reaction mechanism is changed, i.e., the dominant pathway from carbonyl-H-abstraction to OH-addition to carbonyl C-atom. The energy barrier of OH-addition to carbonyl C-atom deceases 21.33 kcal/mol when SiO₂ is added. Carbonyl H-atom of ARL is occupied by SiO₂ via hydrogen bond, and carbonyl C-atom is activated by SiO₂. Hence, the main product changes from H-abstraction product to OH-adduct in the presence of SiO₂. The OH-adduct exhibits a thermodynamic feasibility to yield HO₂ radical and carboxylic acid via the subsequent reactions with O₂, with implications for O₃ formation and surface acidity of mineral particles.     

截流法研究CS2和O3的反应

应用截流法研究了气相CS_2和O_3的反应。研究表明,CS_2和O_3的反应为表观二级反应,在干燥氮气和干燥空气条件下得到反应速率常数k_Ⅱ分别为5.47、5.28 L/(mol·s)。水汽明显加快反应速率。Co_3Ccs_2时,反应最终产物为CO_2、COS和SO_2。并讨论了反应机理。     

基于IKONOS影像的城市住宅区中水回用空间分布估算

中水回用是解决城市水资源短缺和水环境污染问题的有效途径。开展分散式中水可行性研究,需要考虑中水原水与回用需求的数量、空间分布及平衡关系。论文以南京市住宅区为例,探索了基于IKONOS高分辨率遥感影像分类,估算中水回用空间分布的方法。通过引入单位面积用水定额,将遥感和GIS 分析得到的用地信息与中水原水产量和回用需求关联起来,计算了研究区域中27 个地块的中水原水产量和回用需求量,并分析了两者在空间上的水量平衡关系。结果表明,研究区域存在较大的中水原水供给潜力3.52 L/（m²·d）和较大的利用需求5.37 L/（m²·d）。住宅小区的单位面积原水产量与其建筑容积率成正比;以中高层住宅区为主的地区,中水原水产量能够基本满足本地区的中水回用需求。因此,在这些地区建立分散式污水处理系统,可减少废污水排放,节约自来水取用量,提高水资源利用率。     

试行《中国学术期刊(光盘版)检索与评价数据规范》的一些问题和建议

叙述了执行《中国学术期刊(光盘版)检索与评价数据规范》的重要性,并对在执行过程中发现的《规范》的某些条目,如作者简介和参考文献等的规定不够确切以及模拟样本不够准确严密等一些问题提出了看法和相应的建议。     

The effect of N2/CO2 blend ratios on the pyrolysis and combustion behaviors of coal particles: Kinetic and thermodynamic analyses

The aim of this work is to investigate the impact of various CO₂/N₂ ratios on coal pyrolysis and combustion properties and to provide theoretical guidance for better preventing and controlling coal spontaneous combustion in the goaf. The dynamic pyrolysis and combustion characteristics of DX coal were analyzed by using a thermal gravimetric analyzer (TGA) in a constant oxygen atmosphere with different CO₂/N₂ blend ratios. The Málek method combining Coats-Redfern and Achar methods was used to determine the most probable mechanism functions. CO₂ containing atmospheres increased characteristic temperatures, burnout rate, maximum mass loss rate and comprehensive combustion performance index compared to O₂/N₂ atmospheres. In stages I-III, a lower apparent activation energy was observed in O₂/CO₂ atmospheres. Apparent activation energy and enthalpy changes showed upward trends in the reaction stage (I→III→IV), whereas Gibbs free energy change and entropy change decreased. The dynamic pyrolysis and combustion of DX coal necessitated increased energy in environment with a CO₂/N₂ ratio of 4:6, revealing the optimal inhibitory effect on DX coal with this particular ratio.     

Essential hazard and process safety assessment of para-toluene sulfonic acid through calorimetry and advanced thermokinetics

Para-toluene sulfonic acid is a typical intermediary for the synthesis of pharmaceuticals, pesticides, and dyes and is a catalyst for organic synthesis. The consumption of para-toluene sulfonic acid used in organic synthesis has increased substantially. The toluene sulfonation process is the central path for synthesizing para-toluene sulfonic acid in China. However, the process has risks and has resulted in numerous disasters. This study utilized a reaction calorimeter 1 to reproduce the commercial toluene sulfonation process in a laboratory. The para-toluene sulfonic acid product was examined with an accelerating rate calorimeter and through differential scanning calorimetry. Both differential and integral isoconversional methods were used to determine the thermal stability of and appropriate thermokinetic models for para-toluene sulfonic acid. The safety parameters of para-toluene sulfonic acid were estimated. The research findings can be used for optimization of the toluene sulfonation process and for safe handling of para-toluene sulfonic acid.     

Competing pathways of cresol formation in toluene photooxidation: OH-toluene adducts react with NO2 or with O2?

Methyl-hydroxy-cyclohexadienyl radicals (OTAs) are the key products of the photooxidation of toluene, with implications for the fate of toluene. Hence, we investigated the photooxidation mechanisms and kinetics of three main OTAs (o-OTA, m-OTA, and p-OTA) with NO₂ using quantum chemical calculations as well as the fate of OTAs under the different concentration ratios of NO₂ and O₂. The mechanism results show that the pathway of H-abstraction by NO₂ to anti-HONO (anti-H-abstraction) is more favorable than the syn-H-abstraction pathway, because the strong interaction between OTAs and NO₂ is formed in the transition states of the anti-H-abstraction pathways. The branching ratios of the anti-H-abstraction pathways are more than 99% in the temperature range of 216−298 K. The total rate constant of the OTA-NO₂ reaction is 9.9 × 10⁻¹² cm³/(molecule∙sec) at 298 K, which is contributed about 90% by o-OTA + NO₂, and the main products are o-cresol and anti-HONO. The half-lives of the OTA-NO₂ reaction in some polluted areas of China are 35 times longer than those of the OTA-O₂ reaction. In the atmosphere, the NO₂- and O₂- initiated reactions of OTAs have the same ability to form cresols as [NO₂] is up to 142.1 ppmV, which is impossible to achieve. It implies that under the experimental condition, the [NO₂]/[O₂] should be controlled to be less than 7.8 × 10⁻⁵ to simulate real atmospheric oxidation of toluene. Our results reveal that for the photooxidation of toluene, the yield of cresol is not affected by the concentration of NO₂ under the atmospheric environment.