DFT-B3LYP method with 6-31G(**) basis set was employed to fully optimize the electronic structures of 135 polychlorinated dibenzofurans and parent compound, namely dibenzofuran. It was demonstrated that polarizability anisotropy and mean polarizability could change sensitively and systematically with chlorine number and substitution pattern. And new quantitative structure-activity relationships (QSARs) focused on the binding affinities of aryl hydrocarbon receptor (AhR), aryl hydrocarbon hydroxylase (AHH) and 7-ethoxyresorufin O-deethylase (EROD) induction potencies of PCDFs were developed. It was concluded that polarizability anisotropy in conjunction with hyperpolarizabilties and hyper-order electric moments, e.g. octupole moments could well interpret the variation of toxicity of different congeners and dispersion interaction should be the leading form among various interactions. Although the terms of hyperpolarizabilities and hyper-order electric moments were not the same significant ones as polarizability anisotropy, the long-range interactions characterized by them should not be ignored in explaining the toxicity. 相似文献
In recent years several types of sensors and measurement techniques have been developed for measuring the moisture content, water saturation, or the volumetric water content of landfilled wastes. In this work, we review several of the most promising techniques. The basic principles behind each technique are discussed and field applications of the techniques are presented, including cost estimates. For several sensors, previously unpublished data are given. Neutron probes, electrical resistivity (impedance) sensors, time domain reflectometry (TDR) sensors, and the partitioning gas tracer technique (PGTT) were field tested with results compared to gravimetric measurements or estimates of the volumetric water content or moisture content. Neutron probes were not able to accurately measure the volumetric water content, but could track changes in moisture conditions. Electrical resistivity and TDR sensors tended to provide biased estimates, with instrument-determined moisture contents larger than independent estimates. While the PGTT resulted in relatively accurate measurements, electrical resistivity and TDR sensors provide more rapid results and are better suited for tracking infiltration fronts. Fiber optic sensors and electrical resistivity tomography hold promise for measuring water distributions in situ, particularly during infiltration events, but have not been tested with independent measurements to quantify their accuracy. Additional work is recommended to advance the development of some of these instruments and to acquire an improved understanding of liquid movement in landfills by application of the most promising techniques in the field. 相似文献
The effects of three compounded curing agents on the properties and performance of the urea-formaldehyde (UF) resin were investigated in this study. The compounded curing agents were prepared by mixing ammonium chloride with hexamethylenetetramine, citric acid, and oxalic acid respectively at a ratio of 1:1, named N-H, N–CA, and N–OA, respectively. The curing process, crystallinity, and physical properties were measured, and the three-ply plywood was fabricated to measure its prepress strength, wet shear strength, and formaldehyde emission. Results showed that the compounded curing agents N–CA and N–OA enhanced the initial viscosity, crosslinking density and thermal stability of UF resin. Additionally, the prepress strength of the plywood bonded by UF resin with N–CA and N–OA increased by 82 and 111% respectively compared to the UF resin with NH4Cl, and the wet shear strength increased by 14 and 16%, the formaldehyde emission decreased by 19 and 42% respectively. However, owing to the short pot-life of these curing agent limited their storage time, the curing agents N–CA and N–OA should be applied to fabricate plywood in winter for obtaining a better bond strength and a lower formaldehyde emission. While the UF resin with N–HT showed a suitable pot-life, so it could be applied to fabricate plywood in summer for long time storage and avoiding procuring problem. 相似文献
Liquid hot water (LHW), an environmental-friendly physico-chemical treatment, was applied to pretreat the sugarcane bagasse (SCB). Tween80, a non-ionic surfactant, was used to enhance the enzymatic hydrolysis of the pretreated SCB. It found that 0.125 mL Tween80 /g dry matter could make the maximum increase (33.2%) of the glycan conversion of the LHW-pretreated SCB. A self-designed laboratory facility with a plate-and-frame impeller was applied to conduct batch hydrolysis, fed-batch hydrolysis, and the process of high-temperature (50°C) fed-batch hydrolysis following low-temperature (30°C) simultaneous saccharification and fermentation (SSF) which was adopted to overcome the incompatible optimum temperature of saccharification and fermentation in the SSF process. After hydrolyzing LHW-pretreated SCB for 120 h with commercial cellulase, the total sugar concentration and glycan conversion obtained from fed-batch hydrolysis were 91.6 g/L and 68.3%, respectively, which were 9.7 g/L and 7.3% higher than those obtained from batch hydrolysis. With Saccharomyces cerevisiae Y2034 fermenting under the non-sterile condition, the ethanol production and theoretical yield obtained from the process of SSF after fed-batch hydrolysis were 55.4 g/L and 88.3% for 72h, respectively, which were 15.5 g/L and 24.7% higher than those from separate fed-batch hydrolysis and fermentation. The result of this work was superior to the reported results obtained from the LHW-pretreated SCB. 相似文献
Silicon-based fertilizers and soil amendments can have direct and indirect positive influences on cultivated plants. The solid forms of Si-based substances, the most widespread in use, are efficient only at high application rates due to their low level of solubility. Several types of Si-based substances such as fumed silica, slags from the iron and steel industry, modified slags, and a Si-rich product were tested using barley and pea as silicon accumulative and non-accumulative plants, respectively, at two application rates. The plants were grown under toxic concentrations of heavy metals in a greenhouse. Si-rich materials high in water-soluble Si had a positive effect at both the low and high application rates, and for both plant species. This type of substance can be regarded as Si fertilizer, demonstrating greater efficiency at a low application rate and lessened efficiency at a high application rate for protection of the cultivated plants against accumulation of the heavy metals.
Nonferrous metal is an important basis material for the development of the national economy, and its consumption directly affects economic development. It has great significance in the effective utilization of nonferrous metals, development of an environment-friendly society, and investigation of the decoupling of nonferrous metal consumption and GDP growth. The decoupling indicators for nonferrous metal consumption and GDP growth (Dr) in China from 1995 to 2010 were calculated in this study, and the results were analyzed. A productive model based on BP neural network was established. Then, the decoupling indicators for nonferrous metal consumption and GDP growth in China for the period of 2011–2020 were predicted. For the period of 1995–2010, the annual average decoupling indicators were <1 for copper, aluminum, zinc, lead, and nickel, except for tin, which was 0.21. The analysis showed that the decoupling of nonferrous metal consumption and GDP growth is in a less optimistic situation to copper, aluminum, zinc, lead, and nickel in China from 1995 to 2010. The annual average decoupling indicator for tin was 0.21, which indicates relative decoupling. For the period of 2011–2020, the predicted decoupling indicators for copper, aluminum, zinc, lead, nickel, and tin were between 0 and 1. This finding indicates the implementation of relative decoupling. However, the total consumption of nonferrous metals did not decouple from GDP growth. 相似文献