MNLR and ANN structural group contribution methods for predicting the flash point temperature of pure compounds in the transportation fuels range

A QSPR method is presented for predicting the flash point temperature (FPT) of pure compounds in the transportation fuels range. A structural group contribution method is used to determine the flash point temperature using two techniques: multivariable nonlinear regression and artificial neural networks. The method was used to probe the structural groups that have significant contribution to the overall FPT of pure compounds and arrive at the set of 37 atom-type structural groups that can best represent the flash point for about 375 substances. The input parameters to the model are the number of occurrence of each of the 37 structural groups in each molecule. The neural network method was the better of the two techniques and can predict the flash point of pure compounds merely from the knowledge of the molecular structure with an overall correlation coefficient of 0.996 and overall average and maximum errors of 1.12% and 6.62%, respectively. The results are compared to the more traditional approach of the SGC method along with other methods in the literature.     

Untangling outcomes of de jure and de facto community‐based management of natural resources

We systematically reviewed the literature on the tragedy of the commons and common‐property resources. We segregated studies by legal management regimes (de jure regimes) and management that develops in practice (de facto regimes) to understand how the structure of regime formation affects the outcome of community management on sustainability of resource use. De facto regimes, developed within the community, are more likely to have positive impacts on the resource. However, de facto regimes are fragile and not resilient in the face of increased population pressure and unregulated markets, and de facto management regimes are less successful where physical exclusion of external agents from resources is more difficult. Yet, formalization or imposition of de jure management regimes can have complicated impacts on sustainability. The imposition of de jure regimes usually has a negative outcome when existing de facto regimes operate at larger scales than the imposed de jure regime. In contrast, de jure regimes have largely positive impacts when the de facto regimes operate at scales smaller than the overlying de jure regimes. Formalization may also be counterproductive because of elite capture and the resulting de facto privatization (that allows elites to effectively exclude others) or de facto open access (where the disenfranchised may resort to theft and elites cannot effectively exclude them). This underscores that although the global movement to formalize community‐management regimes may address some forms of inequity and may produce better outcomes, it does not ensure resource sustainability and may lead to greater marginalization of users. Comparison of governance systems that differentiate between initiatives that legitimize existing de facto regimes and systems that create new de facto regimes, investigations of new top‐down de jure regimes, and studies that further examine different approaches to changing de jure regimes to de facto regimes are avenues for further inquiry.     

Study on the optical property and surface morphology of N doped TiO2 film deposited with different N2 flow rates by DCPMS

N doped TiO₂ films were deposited by direct current pulse magnetron sputtering system at room temperature. By using UV-Vis spectrophotometer and atomic force microscope, we studied the influence of N₂ flow rate on the optical property and surface morphology of films. The results indicate that the optical property and surface morphology of N doped TiO₂ film was dominated by the N₂ flow rate. The mean absorbency in visible range of pure TiO₂ films is near to 0%, which means that the pure TiO₂ could hardly display the photocatalytic property in visible range. When N₂ flow rate is 2 sccm, the mean absorbency in visible range of N doped TiO₂ film could reach at 24%. In this case, the film could be used as photocatalyst induced by visible light. While with increasing N₂ flow rate, the mean absorbency in visible range of N doped TiO₂ film decreased abruptly. Especially when N₂ flow rate exceeded 8 sccm, the mean absorbency in visible range of N doped TiO₂ film decreased to about 0%, which is like pure TiO₂ fimls.     

Study on the optical property and surface morphology of N doped TiO2 film deposited with different N2 flow rates by DCPMS

N doped TiO₂ films were deposited by direct current pulse magnetron sputtering system at room temperature. By using UV-Vis spectrophotometer and atomic force microscope, we studied the influence of N₂ flow rate on the optical property and surface morphology of films. The results indicate that the optical property and surface morphology of N doped TiO₂ film was dominated by the N₂ flow rate. The mean absorbency in visible range of pure TiO₂ films is near to 0%, which means that the pure TiO₂ could hardly display the photocatalytic property in visible range. When N₂ flow rate is 2 sccm, the mean absorbency in visible range of N doped TiO₂ film could reach at 24%. In this case, the film could be used as photocatalyst induced by visible light. While with increasing N₂ flow rate, the mean absorbency in visible range of N doped TiO₂ film decreased abruptly. Especially when N₂ flow rate exceeded 8 sccm, the mean absorbency in visible range of N doped TiO₂ film decreased to about 0%, which is like pure TiO₂ fimls.     

焦化废水治理现状分析

通过对焦化企业性质、废水回用用途、废水处理技术、废水治理投资等方面的调研分析,结果表明,在废水资源综合利用方面,联合型的焦化企业跟独立焦化企业相比,优势非常明显;从节约水资源的角度考虑,必须加大废水资源化利用方面的研究力度,提高废水处理水平。     

佛山市郊菜地土壤理化性质与重金属含量及其相关性

对佛山市郊主要菜地土壤理化性质与重金属污染状况及其之间的相关性进行分析。结果表明：菜地土壤呈酸性,有机质含量偏低,而碱解氮、速效磷和速效钾含量普遍较高。Cd平均含量超出国家土壤环境质量二级标准,但Cu、Zn、Ni、Ph、Cr平均含量都在国家二级标准内,Cd是主要污染因子。pH与速效磷、碱解氮、速效钾存在极显著或显著负相关关系;碱解氮、速效磷和速效钾三者之间均存在极显著正相关关系;Cu、Zn、Ni、Pb和Cr之间存在极显著或显著正相关关系,它们具有同源关系,并呈现复合污染的趋势;pH与Cu、Zn、Ni、Cr、Cd呈正相关;有机质与Cu、Zn、Ph、Cr表现出中等正相关;碱解氮、速效磷、速效钾与所有重金属都呈负相关,但相关性不显著。     

固定化季铵盐对硫酸盐有机废水厌氧处理颗粒污泥特性的影响

将硫酸盐有机废水厌氧处理过程中活性受抑制的厌氧颗粒污泥接入2台平行运行的升流式厌氧污泥床（UASB,1#、2#）反应器,并分别向其中投加短链和长链固定化季铵盐（IQAS）,考察IQAS的投加对颗粒污泥生物活性和理化特性的影响.结果表明：投加IQAS后,2台反应器中颗粒污泥的脱氢酶活性和比产甲烷活性均明显提高,沉降性能提升,其总硫、金属元素、胞外蛋白质（PN）及胞外多糖（PS）含量均呈降低趋势,表面的PN、PS拉曼光谱峰值减弱;与1#反应器相比较,2#反应器中颗粒污泥的辅酶F₄₂₀浓度增加明显,总硫和Fe元素含量减少显著;由此表明,IQAS的投加能剥离颗粒污泥表面沉积物,使活性受抑制的厌氧颗粒污泥的生物活性提高,其中长链IQAS对颗粒污泥的剥离激活作用较明显.     

3种海洋硅藻藻粉吸附水中镉离子特性研究

利用3种海洋硅藻(角毛藻、菱形藻、海链藻)干粉对水中重金属镉离子进行吸附.实验结果表明,3种海洋硅藻对Cd~(2+)的吸附容量在一定范围内均与吸附时间、Cd~(2+)初始浓度和温度3个变量分别呈正相关关系.3种硅藻干粉对Cd~(2+)的吸附均很好地符合Pseudo二级动力学模型;吸附等温数据均更符合Langmuir等温吸附;在不考虑温度对吸附焓和吸附熵影响的前提下,计算得到的3种海洋硅藻的ΔG值均小于0.以上结果表明,3种海洋硅藻对Cd~(2+)的吸附过程是一个自发进行、有化学吸附参与的以单分子层吸附为主的吸附过程.角毛藻、菱形藻和海链藻最大实验吸附容量分别为275.25、303.75和224.36 mg·g~(-1),大大高于已报道各类生物吸附剂.以吸附容量最大的菱形藻干粉为吸附剂,考察实际水体中可能存在物质对其吸附性能的影响.结果表明,菱形藻对Cd~(2+)的吸附容量随着溶液中盐(Na Cl、Ca(NO_3)_2、Mg(NO_3)_2)浓度和浊度的增加而下降,而随着腐植酸浓度的增加不断升高.最后,利用HCl对吸附Cd~(2+)后的菱形藻进行解吸附再生实验,结果表明HCl可有效解吸菱形藻上的Cd~(2+),实现Cd~(2+)的脱附回收.     

超临界水的物理化学性质及意义

水的许多性质在其临界区域随温度、压力的升高有着异常的变化行为，这种行为不仅控制着热液体系中的质量和热量输运过程，使得流体和对流热通量以及水溶液溶质的大多数标准偏摩尔性质在水的临界点附近接近正的或负的无穷大，而且也影响着体系中的化学过程。超临界水溶液流体与室温下的电解质溶液在许多方面有很大的差别，这些差别对水如何溶解矿物及迁移金属和配合物具有深刻的影响。     

滏阳河流域的水资源问题

根据对华北地区水资源短缺最严重的滏阳河流域的实证研究表明,随着部门和上下游用水者之间用水竞争程度的加剧,流域从开放向闭合的转变,地下水位的逐年下降及引致的环境问题,节水的空间也变得十分有限。解决未来水资源短缺的问题很大程度上将依赖于如何运用政策、制度和经济措施实现水资源的优化配置和综合管理,提高灌区的运行绩效和实现有效的产权制度创新。