基于密度泛函理论模拟单壁碳纳米管对五种核酸碱基的吸附

基于密度泛函理论,模拟了单壁碳纳米管(SWNTs)对5种碱基的吸附作用.考察了SWNTs直径、电荷转移量、碱基最高占据分子轨道能(EHOMO)和最低未占据分子轨道能(ELUMO)与SWNTs吸附碱基的吸附能之间的关系.结果表明,随着SWNTs直径的增大,SWNTs吸附碱基的吸附能降低.SWNT(6,6)吸附5种碱基的最低吸附能Emin与由碱基转移到SWNTs的电荷转移量(Q)及碱基的EHOMO线性负相关,相关系数分别为-0.966和-0.804(P<0.05).吸附后SWNTs与碱基的前线轨道无重叠,且SWNTs电子结构未受影响,表明吸附行为属于物理吸附.     

Removal of Remazol Brilliant Violet-5R dye using periwinkle shells

The purpose of this research is to obtain optimal processing conditions for the adsorption of Remazol Brilliant Violet-5R (RBV-5R) dye onto activated carbon prepared from periwinkle shells (PSAC) by chemical activation with KOH using response surface methodology. Central composite design (CCD) was used to determine the effects of three preparation variables; CO₂ activation temperature, CO₂ activation time and KOH:char impregnation ratio (IR) on two responses; percentage RBV-5R dye removal and PSAC yield. Based on the CCD, two quadratic models were developed for percentage RBV-5R dye removal and PSAC yield, respectively. The most influential factor on each experimental design response was identified from the analysis of variance (ANOVA). The optimum conditions for the adsorption of RBV-5R dye onto PSAC were CO₂ activation temperature of 811 °C, CO₂ activation time of 1.70 h and IR of 3.0, resulting in 81.28% RBV-5R dye removal and 28.18% PSAC yield. PSAC prepared under optimum conditions was mesoporous with a Brunauer–Emmett–Teller surface area of 1894 m²·g^?1, total pore volume of 1.107 cm³·g^?1 and average pore diameter of 2.32 nm. The surface morphology and functional groups of the activated carbon were respectively determined from the scanning electron microscopy and Fourier transform infrared analysis.     

Trophic transfer of polybrominated diphenyl ethers and polychlorinated biphenyls in a tidal freshwater marsh

The John Heinz National Wildlife Refuge (NWR) at Tinicum Marsh contains one of the last remaining tidal freshwater marsh communities along the Pennsylvania side of the Delaware River Estuary. The marsh receives a significant load of nutrients and sediment-associated contaminants and is hypothesised to act as an effective trap for these chemicals. The goal of this study was to quantify the levels of polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) at various trophic levels at two sites within Tinicum Marsh and assess the factors important in determining their bioaccumulation and trophic transfer. For both PCBs and PBDEs, lipid variation for all species was a large factor in determining contaminant body burden. Also, concentrations in biota increased with increasing trophic level as determined by nitrogen isotope analysis (δ¹⁵N values) at the downstream site within Tinicum Marsh. This trend was less apparent at the upstream site and may be due to differences in feeding behaviours among species between the two sites and/or differences in carbon and nitrogen sources and recycling. These data are valuable in assisting bioaccumulation/trophic transfer studies and serve as benchmarks to which future PCB and PBDE concentrations will be compared.     

A comprehensive model to estimate the simultaneous release of acidic and basic gaseous pollutants from swine slurry under different scenarios

Swine slurry is a source of atmospheric pollutants. Emissions of basic and acidic compounds from slurry are largely dependent on the surface pH. In a storage system, the pH at the surface layers changes over time due to the volatilisation of ammonia (NH₃), carbon dioxide (CO₂) and acetic acid (HAc). In this article, a comprehensive gas emission–pH (GE–pH) coupled model is proposed to describe the simultaneous release of acidic and basic gaseous pollutants from swine slurry. The model was applied to describe the release of NH₃, CO₂, HAc and hydrogen sulphide (H₂S) from standard slurries stored in animal houses, outside storage tanks and lagoons. The modelled results agreed well with values reported in the literature and could be reasonably interpreted. The key parameters affecting the release of gases were: initial pH, initial concentration of total ammonium nitrogen and inorganic carbon, slurry temperature and air velocity. This study suggests that future modelling studies on gas emissions from animal slurry should consider the concentration of inorganic carbon and the frequency in which the slurry surface is mixed or altered, because they affect the surface pH and the release of gaseous pollutants from slurry.     

Behaviour of pendimethalin and oxyfluorfen in peanut field soil: effects on soil biological and biochemical activities

A field experiment was conducted to study the dissipation kinetics of herbicides pendimethalin and oxyfluorfen in black soil of peanut field at half recommended rate (HRE), recommended rate and double recommended rate as well as to assess their effects on soil microbial parameters and enzymatic activities. In addition, their role in the transformations and availability of some plant nutrients like nitrogen transformation (through ammonification and nitrification processes) and availability of phosphorous were also studied. Incorporation of these herbicides was found to stimulate the activity of soil microbial biomass carbon, fluorescein diacetate hydrolysing activity, alkaline phosphatase and ammonification rates, while dehydrogenase activity, acid phosphatase, nitrification rate and available phosphorous was adversely affected. However, urease remains almost unchanged except for little stimulation at later stages. Dissipation of pendimethalin and oxy?uorfen followed first-order reaction kinetics with half-life (T_1/2) of 13.7–20.1 and 21.5–27.4 days, respectively. Residues of both herbicides persisted up to 60 days in the soil at all the doses except 45 days for pendimethalin at HRE.     

Changes in nutrient content and stable isotope ratios of C and N during decomposition of seagrasses and mangrove leaves along a nutrient availability gradient in Florida Bay,USA

The decomposition of the mangrove Rhizophora mangle and the seagrass Thalassia testudinum was examined using litterbags along a natural gradient in nutrient availability. Seagrass leaves had a higher fraction of their biomass in the labile pool (57%), compared to mangrove leaves (36%) and seagrass rhizomes (29%); the overall decomposition rates of the starting material reflected the fractionation into labile and refractory components. There was no relationship between the N or P content of the starting material and the decomposition rate.

Nutrient availability had no influence on decomposition rate, and mass was lost at the same rate from litterbags that were buried in the sediment and litterbags that were left on the sediment surface. The dynamics of N and P content during decomposition varied as a function of starting material and burial state. N content of decomposing mangrove leaves increased, but seagrass rhizomes decreased in N content during decomposition while there was no change in seagrass leaf N content. These same general patterns held for P content, but buried seagrass leaves increased in P content while surficial leaves decreased. δ¹³C and δ¹⁵N changed by as much as 2‰ during decomposition.     

影响中国碳排放绩效的区域特征研究——基于熵值法的聚类分析

论文选择影响碳排放绩效的主要指标,基于熵值法确定各指标权重,采用系统聚类分析的方法,以中国省域为研究对象,将全国分为7类区域。分析结果显示:区域分工特征是造成目前中国省级碳排放绩效区域差异的主要影响因素,其次是高碳产业工艺特征和能源结构特征,而经济结构对解释省级碳排放绩效区域差异的贡献有限。北方地区高碳产品生产份额高且工艺水平相对低,能源消费中极高的煤炭比例加重了负面影响,造成其二氧化碳排放绩效水平低,特别是华北地区;近年来东南沿海地区高碳产业也逐步增加,但由于其工艺先进,在一定程度上抵消了高碳产品份额高的负面影响;中西部地区目前高碳产品份额虽然低于东部地区,但工艺水平也低,造成了其低水平的二氧化碳排放绩效。由于各省历史发展、自然资源禀赋、区域分工角色等因素不同,且遵从经济宏观发展客观规律和经济区位理论,除了少数发达地区之外,中国其他区域短时间内很难改变其经济和能源结构,低碳政策制定的重点应放在提高高碳产业工艺水平方面。     

Carbon sequestration of black locust forests in the Yellow River Delta region,China

The Yellow River Delta region in China is a land area of 1,200,000 ha with rich natural resources. Adverse environmental conditions, such as low rainfall and high salinity, promote the dominance of black locust trees for afforestation. With the increase of CO₂ in the atmosphere, this forest and others throughout the world have become valued for their ability to sequester and store carbon. Forests store carbon in aboveground biomass (i.e. trees), belowground biomass (i.e. roots), soils and standing litter crop (i.e. forest floor and coarse woody debris). There are well-developed methods to sample forest ecosystems, including tree inventories that are used to quantify carbon in aboveground tree biomass. Such inventories are used to estimate the types of roundwood products removed from the forest during harvesting. Based on standard plot inventories and stem analyses, carbon sequestration estimates of trees were 222.41 t ha^?1 for the Yellow River Delta region accounted for 67.12% of the whole forest. Similarly, carbon storage by herbaceous matter and soil was 0.50 and 50.34 t ha^?1, respectively. The results suggest that carbon sequestration in the forest ecosystem was performed by most of the forest, which plays an increasingly important role in sequestering carbon as the stand grows.     

Analysis of household energy consumption and related CO2 emissions in the disregarded villages of Lijiang City,China

Energy is one of the most important elements required for poverty alleviation and socioeconomic development, and it has a particularly strong impact on households in rural areas. An extensive survey on household energy consumption patterns that interrelates socioeconomic and demographic factors was conducted in the disregarded villages of Lijiang City by using the stratified random sampling technique for 120 households. This study focuses on household energy consumption and the related carbon dioxide (CO₂) emissions in the study area. Firewood, biogas, and electricity were identified as the main energy sources of the rural households. This study demonstrates that 100% of the households use firewood, 52% use biogas, and 95% use electricity as fuel types. On average, each household consumed 1752 kg of firewood, 280 m³ of biogas, and 392 kWh of electricity annually. All households generated an annual average amount of CO₂ emissions of 3851 kg, of which 85.08% come from firewood, 7.66% from biogas, and 7.26% from electricity. Family size, income, and educational level were found to be the major factors that influence CO₂ emissions. The results of this study may be useful in explaining the energy consumption characteristics in the rural areas of Lijiang City and are expected to be useful in policy formulation for energy consumption and environmental protection.     

Benefits and challenges of streamlined life-cycle assessment for SMEs – findings from case studies on climate change impacts

ABSTRACT

Small and medium-sized enterprises (SMEs) have a substantial role in the economy and job creation, but they are a remarkable source of environmental impacts. SMEs often lack skills and resources to compile environmental impact assessments; Streamlined Life Cycle Analysis (LCA) can provide efficient tools for this. An application of streamlined LCA relying heavily on database data, LCA clinic, was developed and tested on 23 SMEs in Finland. The climate change impacts were mainly caused by the production of raw materials, electricity and heating, whereas packaging and transportation were not influential. A significant amount of emissions were indirect, i.e. caused by production of raw materials. Thus, decreasing emissions from raw material production or selecting raw materials with a smaller environmental load could be a more efficient way to decrease emissions than reducing direct emissions such as those from electricity use. Lack of data in the LCA-databases was considered a challenge. An access to regionally customised datasets is important for the implementation of LCA clinics. Company feedback indicated that LCA clinics were useful in climate-friendly product design and increased environmental awareness, but did not lead to immediate actions to reduce emissions because of inadequate investment capabilities. Company managers had limited possibilities to use the results in marketing as comparative assessments would require a full LCA. Many company managers were willing to pay a fee sufficient to cover the costs of an LCA clinic, but some considered that the costs should be covered by external funding sources.