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.     

城市碳排放的评估方法——影响要素和过程研究

城市碳排放对全球碳循环和气候变化产生了深远的影响。论文在国内外城市碳排放研究基础上,从城市化的碳排放效应、城市碳排放估算和影响要素、碳排放观测、碳循环和碳代谢过程等方面系统归纳总结了碳排放评估方法、要素和过程。评述了Kaya恒等式、LMDI方法、CGE模型、混合分析法、清单编制法、UE模型、FFDAS模型、STIRPAT模型、格网模型、综合分析法(Four-part Methodology)、建筑碳排放模型、物质代谢法、EC碳通量观测等代表性碳排放估算和观测方法。研究焦点正在从宏观模式转向微观机理,从自然、人文单一过程转向人文-自然耦合过程,热点区域从发达国家城市转向发展中国家城市,从单一数据源转向遥感、实验观测等多源数据。基于上述特点,当前研究应从城市公平发展和低碳城市出发,建立城市公共利益能源研究框架,根据城市职能类型和发展水平,综合涡度通量观测、计量模型、生态模型、遥感和GIS技术,构建高精度城市碳排放账户,建立城市代谢存量和流量标准分类系统,发展和完善碳排放估算模型,提高城市碳排放计算结果精度和城市间的可比性。     

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。     

不同土地利用方式对土壤有机碳及其组分影响研究

测定了5种土地利用方式下（人工草地、围封样地、一年耕地、弃耕地、自由放牧样地）土壤有机碳、土壤微生物生物量碳、易氧化态碳和轻组有机碳组分含量特征,比较分析土地利用变化对典型草原土壤起源下土壤有机碳组分的变化。结果表明,1）人工草地土壤有机碳含量为（14．98±3．47）g·kg-1,围封样地的为（12．41±6．40）g·kg-1,一年耕地的为（12．20±5．59）g·kg-1,弃耕样地的为（10．39±5．08）g·kg-1,自由放牧样地的为（9．45±3．19）g·kg-1。人工草地土壤有机碳含量明显高于其他样地,围封样地和一年耕地的含量相似,自由放牧样地的含量最小。2）土壤微生物生物量碳、易氧化态碳和轻组有机碳的含量在不同土地利用方式下的变化趋势与土壤有机碳含量的变化趋势基本一致。土壤有机碳及其组分含量在土壤剖面上,随着土层深度的增加而逐渐降低。3）土壤微生物生物量碳、易氧化态碳和轻组有机碳的平均分配比率在不同类型样地范围分别为0．24％～0．66％、0．002％～0．019％和0．05％-0．25％,显示出各组分对土壤环境变化的敏感度不同,其中土壤微生物生物量碳更能反映土壤有机碳的早期变化,可以作为表征土壤有机碳变化和土壤肥力的敏感指标。     

湘东丘陵区不同类型土壤活性碳组分的剖面分布与差异

土壤活性碳组分是土壤健康变化的指示器。选取湘东丘陵区3种不同母质发育的林地土壤（紫色土、板岩红壤和花岗岩红壤）,研究土壤颗粒有机碳（POC）和溶解性有机碳（DOC）的剖面分布规律,并分析POC、DOC与土壤有机碳（SOC）、土壤质地的关系。结果表明：土壤剖面POC、DOC质量分数分别介于0．29～3．87g·kg。和15．01～311．34mg·kg^-1,随剖面加深而大幅降低。土壤剖面POC储量介于8．61一16．54t·hm^-2,以花岗岩红壤最高,板岩红壤最低;而DOC储量介于380．76～1184．83kg·hm^-2,以板岩红壤最高,紫色土最低。POC占SOC的比例（POC／SOC）介于6．42％～46．25％,其中紫色土和板岩红壤POC／SOC随土层加深而降低,而花岗岩红壤则完全相反。DOC占SOC的比例（DOC／SOC）介于O．35％～3．02％,其中紫色土DOC／SOC随土层加深而降低,板岩红壤与花岗岩红壤DOC／SOC则以B层最高。由此可见,不同母质发育的土壤类型,碳库质量和脆弱程度不一。从维持地力和环境健康的角度,应对不同母质发育的土壤制定不同的开发利用方案。