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Heterogeneous reaction mechanism of gaseous HNO3 with solid NaCI： a density functional theory study

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Frontiers of environmental Science & Engineering 2016年第5期10卷 49-58页

作者： Nan ZHAO Qingzhu ZHANG Wenxing WANG environment Research institute Shandong University Jinan 250100 China

Sea salt particles containing NaCl are among the most abundant particulate masses in coastal atmosphere. Reactions involving sea salt particles potentially generate Cl radicals, which are released into coastal atmosphere. Cl radicals play an important role in the nitrogen and O3 cycles, sulfitr chemistry and particle formation in the troposphere of the polluted coastal regions. This paper aimed at .the heterogeneous reaction between gaseous HNO3 .and solid NaCl. The ***.m was *** density functional theory （DFT）. The results imply that water molecules induce the surface reconstruction, which is essential for the heterogeneous reaction. The surface reconstruction on the defective （710） surface has a barrier of 10.24 ***-1 and is endothermic by 9.69 ***-1, whereas the reconstruction on the clean （100） surface has a barrier of 18.46 ***-1 and isendothermic by 12.96 ***-1. The surface reconstruction involved in water-adsorbed （710） surface is more energetically favorable. In comparison, water molecules adsorbed on NaCl （100） surface likely undergo water diffusion or desorption. Further, it reveals that the coordination number of the Cl-out is reduced after the surface reconstruction, which assists Clout to accept the proton from HNO3. HCl is released from heterogeneous reactions between gaseous HNO3 and solid NaCl and can react with OH free radicals to produce atomic Cl radicals. The results will offer further insights into the impact of gaseous HNO3 on the air quality of the coastal areas.

关键词： Seasalt particles NaCl HNO3 Heterogeneous reaction Reaction mechanism Density functional theory

Mitigating People-Park Conflicts on Resource Use through Ecotourism:A Case of the Nanda Devi Biosphere Reserve,Indian Himalaya

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Journal of Mountain Science 2011年第1期8卷 87-95页

作者： Chandra Prakash KALA Rakesh Kumar MAIKHURI Ecosystem and environment Management Indian Institute of Forest Management G.B.Pant institute of Himalayan environment and Development Post.

Eeotourism aims to deliver the philosophy of sustainable development through environmental conservation as well as socio-economic development. Areas with rich biodiversity and scenic beauty, like the Indian Himalayan region, have been one of the major destination centers for nature lovers from historical time. In view of conserving the rich biodiversity and natural heritage of the Himalayan region 92 protected areas have been set aside, of these Nanda Devi Biosphere Reserve （NDBR） is a well known world heritage site. Over a period of time establishing NDBR has invited conficts between the local people and reserve authorities on the management approaches and utilization criteria of the natural resources, especially banning the traditional bio-resource collection rights of local community, expeditions, trekking, and other anthropogenic activities in the core zones. The present study aims to understand and analyze the various people - park conflicts, and also to suggest ways to mitigate such conflicts in view of biodiversity conservation and improvement of economic status of local people by promoting eeotourism. With this view the study further discusses the various aspects of eeotourism, its pros and cons, and the avenues of developing appropriate strategies for promotion of ecotourism in buffer zone areas of NDBR.

关键词： Eeo-tourism Indian Himalaya NandaDevi Biosphere Reserve Nature conservation People-park conflicts

Community diversity and distribution of ammonia-oxidizing archaea in marsh wetlands in the black soil zone in North-east China

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Frontiers of environmental Science & Engineering 2019年第4期13卷 123-138页

作者： Chunhong Chen Hong Liang Dawen Gao State Key Laboratory of Urban Water Resource and environment Harbin Institute of TechnologyHarbin 150090China School of environment Harbin Institute of TechnologyHarbin 150090China

Since its first detection, ammonia-oxidizing archaea (AOA) have been proven to be ubiquitous in aquatic and terrestrial ecosystems. In this study, two freshwater marsh wetlands- the Honghe wetland and Qixinghe wetland - in the black soil zone in North-east China were chosen to investigate the AOA community diversity and distribution in wetland soils with different vegetation and depth. In the Honghe wetland, two sampling locations were chosen as the dominant plant transited from Deyeuxia to Carex. In the Qixinghe wetland, one sample location that was dominated by Deyeuxia was chosen. Samples of each location were collected from three different depths, and Illumina MiSeq platform was used to generate the AOA amoA gene archive. The results showed that the AOA amoA genes in the soils of the two wetlands were affiliated with three lineages: Nitrososphaera, Nitrosotalea, and Nitrosopumilus clusters. The different dominant status of these AOA lineages indicated their differences in adapting to acidic habitat, oxygenic/hypoxic alternation, organic matter, and other environmental factors, suggesting high diversity among AOA in marsh soils. The main driver of the AOA community was pH, along with organic carbon and ammonium nitrogen, which also played an important role combined with many other environmental factors. Thus, soil physiochemical characteristics, rather than vegetation, were the main cause of AOA community diversity in the wetlands in the black soil zone in China.

关键词： Ammonia-oxidizing archaea amoA gene Freshwater marsh Diversity Distribution

Efects of idle time on biological phosphorus removal by sequencing batch reactors

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Journal of environmental Sciences 2013年第12期25卷 2396-2402页

作者： Dawen Gao Hang Yin Lin Liu Xing Li Hong Liang School of Forestry Northeast Forestry University State Key Laboratory of Urban Water Resource and environment Harbin Institute of Technology institute of Urban environment Chinese Academy of Sciences

Three identical sequencing batch reactors （SBRs） were operated to investigate the effects of various idle times on the biological phosphorus （P） removal. The idle times were set to 3 hr （R1）, 10 hr （R2） and 17 hr （R3）. The results showed that the idle time of a SBR had potential impact on biological phosphorus removal, especially when the influent phosphorus concentration increased. The phosphorus removal efficiencies of the R2 and R3 systems declined dramatically compared with the stable R1 system, and the Prelease and P-uptake rates of the R3 system in particular decreased dramatically. The PCR-DGGE analysis showed that uncultured Pseudomonas sp. （GQ183242.1） and β-Proteobacteria （AY823971） were the dominant phosphorus removal bacteria for the R1 and R2 systems, while uncultured γ-Proteobacteria were the dominant phosphorus removal bacteria for the R3 system. Glycogen-accumulating organisms （GAOs）, such as uncultured Sphingomonas sp. （AM889077）, were found in the R2 and R3 systems. Overall, the R1 system was the most stable and exhibited the best phosphorus removal efficiency. It was found that although the idle time can be prolonged to allow the formation of intracellular polymers when the phosphorus concentration of the influent is low, systems with a long idle time can become unstable when the influent phosphorus concentration is increased.

关键词： biological phosphorus removal polyphosphate-accumulating organisms idle time microbial community

Selective adsorption of tetracycline by β-CD-immobilized sodium alginate aerogel coupled with ultrafiltration for reclaimed water

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Chinese Journal of Chemical Engineering 2024年第4期68卷 27-34页

作者： Xi Quan Jun Zhang Linlin Yin Wei Zuo Yu Tian State Key Laboratory of Urban Water Resource and environment(SKLUWRE) School of EnvironmentHarbin Institute of TechnologyHarbin 150090China

In this work,a novel composite material based on β-cyclodextrin-immobilized sodium alginate aerogel(β-CD/NaAlg) was developed utilizing cross-linker of epichlorohydrin and applied as an adsorbent to remove tetracycline antibiotics from reclaimed wastewater.A series of characterizations were utilized to confirm the successful synthesis of the adsorbent and this β-CD/NaAlg presented a three-dimensional network at the nanoscale or *** optimal conditions(pH=4,t=8 h,β-CD:NaAlg=9,adsorbent dosage = 1.5 g·L-1),the maximum removal rate of β-CD/NaAlg to tetracycline was 70%.The adsorption behavior of tetracycline on β-CD/NaAlg conformed to the Freundlich isotherm model(R2=0.9977) and the pseudo-second-order kinetic model(R^(2)=0.9993).Moreover,the adsorbent still removed 55.3% of tetracycline after five ***,the adsorbent was integrated with ultrafiltration to adsorb tetracycline antibiotics from simulated reclaimed wastewater,and the removal rate of tetracycline reached 78.9% within 2 *** existence of Cr(Ⅵ) had a negligible impact on tetracycline removal,while the presence of humic acid exhibited a promoting *** possible adsorption mechanisms were also elucidated through X-ray photoelectron spectroscopy and density functional theory *** summary,β-CD/NaAlg represents an environmentally friendly,efficient,and sustainable adsorbent for removing tetracycline antibiotics from reclaimed water.

关键词： b-CD/NaAlg aerogel Covalent grafting Tetracycline antibiotics Ultrafiltration Selective adsorption Reclaimed water

Housing Sulfur in Polymer Composite Frameworks for Li–S Batteries

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Nano-Micro Letters 2019年第1期11卷 282-325页

作者： Luke Hencz Hao Chen Han Yeu Ling Yazhou Wang Chao Lai Huijun Zhao Shanqing Zhang Centre for Clean environment and Energy Environmental Futures Research Institute School of Environment and Science Griffith University Gold Coast Campus

Extensive efforts have been devoted to the design of micro-, nano-, and/or molecular structures of sulfur hosts to address the challenges of lithium–sulfur(Li–S) batteries, yet comparatively little research has been carried out on the binders in Li–S batteries. Herein, we systematically review the polymer composite frameworks that confine the sulfur within the sulfur electrode, taking the roles of sulfur hosts and functions of binders into consideration. In particular, we investigate the binding mechanism between the binder and sulfur host(such as mechanical interlocking and interfacial interactions), the chemical interactions between the polymer binder and sulfur(such as covalent bonding, electrostatic bonding, etc.), as well as the beneficial functions that polymer binders can impart on Li–S cathodes, such as conductive binders, electrolyte intake, adhesion strength etc. This work could provide a more comprehensive strategy in designing sulfur electrodes for long-life, large-capacity and high-rate Li–S battery.

关键词： Lithium–sulfur battery Sulfur cathode Binder Binding mechanism Polymer composite frameworks

Recent improvements in oily wastewater treatment:Progress, challenges, and future opportunities

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Journal of environmental Sciences 2015年第11期27卷 15-30页

作者： Sanaa Jamaly Adewale Giwa Shadi Wajih Hasan institute Center for Water and environment Department of Chemical and Environmental Engineering Masdar Institute of Science and Technology

Oily wastewater poses significant threats to the soil, water, air and human beings because of the hazardous nature of its oil contents. The objective of this review paper is to highlight the current and recently developed methods for oily wastewater treatment through which contaminants such as oil, fats, grease, and inorganics can be removed for safe *** include electrochemical treatment, membrane filtration, biological treatment,hybrid technologies, use of biosurfactants, treatment via vacuum ultraviolet radiation,and destabilization of emulsions through the use of zeolites and other natural *** review encompasses innovative and novel approaches to oily wastewater treatment and provides scientific background for future work that will be aimed at reducing the adverse impact of the discharge of oily wastewater into the environment. The current challenges affecting the optimal performance of oily wastewater treatment methods and opportunities for future research development in this field are also discussed.

关键词： Oily wastewater Electrochemical Biological Membrane Treatment

Theoretical study on the degradation reaction of octachlorinated dibenzo-p-dioxin with atomic oxygen o(3P) in dielectric barrier discharge reactor

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Journal of environmental Sciences 2014年第11期26卷 2283-2289页

作者： Chen Gong Xiaomin Sun Chenxi Zhang Jingtian Hu Chuansong Qi environment Research institute Shandong University College of Chemical Engineering Beijing Institute of Petrochemical Technology

Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （DFT） is used to study the degradation mechanism of octachlorinated dibenzo-p-dioxin （OCDD） with the atomic oxygen O（3P） in DBD reactor. The reactants, intermediates, transition states and products are optimized at the MPWB1K/6- 31 ＋ G（d,p） level. The vibrational frequencies have been calculated at the same level. The reaction pathways and mechanisms are analyzed in detail. The effect of removing the chlorine atom on environment also has been discussed.

关键词： OCDD Dechlorination reaction Dielectric barrier discharge Atomic oxygen

Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第01期 152-156页

作者： Lihua Zhang Lingjing Chen Huatian Shi Yue Wei Gui Chen Tai-Chu Lau School of environment and Civil Engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

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