A DFT study on the carbamates formation through the absorption of CO2 by AMP

DFT calculations in gas and aqueous solution phases have been performed to study the mechanism of carbamate formation by the absorption of CO₂ in 2-amino-2-methyl-1-propanol (AMP). The results reveal the importance of considering the effect of water as solvent for the reaction to proceed. Furthermore water molecules play an important role as a basic reactant leading to stable intermediates formation. These results point at a single-step, third order reaction as the most probable mechanism for the formation of carbamate by the absorption process.     

The pollution release and transfer register system in the U.S. and Japan: an analysis of productivity

This study analyzes Total Factor Productivity (TFP), which includes all categories of productivity. Our measure investigates productivity in the context of the provision and dissemination of environmental information policies. We investigated data on the emission of toxic chemical substances for the U.S. and Japanese manufacturing firms, including 386 firms for the period 1999-2007 and 466 firms for the period 2001-2008. The results show that productivity improved in all nine industrial sectors and that pollution levels were high in the U.S. and Japan from 2001 to 2007. In particular, the electronics industry improved rapidly after 2002 in both countries, which may be attributed to the enforcement of RoHS and the REACH directive in Europe. As a result of these stringent policies on toxic chemical emissions, the U.S. and Japanese firms, many of which export to the European market, have strong incentives to reduce their toxic chemical emissions.     

Exoenzymes of Trametes versicolor can metabolize coplanar PCB congeners and hydroxy PCB

Two fractions containing the oxidase activity toward 2,2'-azinobis (3-ethylbenzothiazoline-6-sulfonate) (ABTS) were obtained using ion-exchange DEAE-Sepharose column chromatography of the culture fluid of white-rot fungus, Trametes versicolor. These two fractions can reduce the level of coplanar PCB congeners (Co-PCBs). The ABTS oxidase in the first fraction passed through the DEAE-Sepharose column. The ABTS oxidase in the second fraction was adsorbed to the column at 相似文献   

Recovery of metals and polymers from coaxial cables using different configurations of electrostatic separators

Journal of Material Cycles and Waste Management - Technological development has led to a growing generation of waste electrical and electronic equipment, including cables. This work concerns the...     

Elementary reaction path on polychlorinated biphenyls formation from polychlorinated benzenes in heterogeneous phase using ab initio molecular orbital calculation

We have investigated the elementary reaction path on the 3,3',4,4',5,5'-hexachlorinated biphenyl (HxCB) formation from two 1,2,3,5-tetrachlorobenzenes (TCBz) and the catalytic role of copper on this formation using ab initio molecular orbital calculation. The elementary reaction path on the 3,3',4,4',5,5'-HxCB formation from two 1,2,3,5-TCBzs has been shown to occur as follows: Step 1--the dissociation of Cl atom substituted at 5-position in 1,2,3,5-TCBz, Step 2--the association between Cl atom substituted at 5-position in another 1,2,3,5-TCBz and the Cl radical formed in Step 1, Step 3-the elimination of Cl2 molecule from the intermediate species formed in Step 2, and Step 4--the 3,3',4,4',5,5'-HxCB formation from the direct condensation of two 1,2,3-trichlorophenyl radicals formed in Step 1 and Step 3. The geometric factor, which decides the reactivity of this formation, is the C-Cl bond strength of 1,2,3,5-TCBz. The catalytic roles of copper are to stabilize the total energy in the adsorption of 1,2,3,5-TCBz onto the copper surface and to weaken the C-Cl bond strength due to the charge transfer from the 1,2,3,5-TCBz to the copper surface. Moreover, we have achieved the prediction of the minimum energy path on the formation of non- and mono-ortho polychlorinated biphenyls congeners for which TEFs have been determined.     

Evaluation of uncertainties originating from the different modeling approaches applied to analyze regional groundwater flow in the Tono area of Japan

Qualitative evaluation of the effects of uncertainties originating from scenario development, modeling approaches, and parameter values is an important subject in the area of safety assessment for high-level nuclear waste disposal sites. In this study, regional-scale groundwater flow analyses for the Tono area, Japan were conducted using three continuous models designed to handle heterogeneous porous media. We evaluated the simulation results to quantitatively analyze uncertainties originating from modeling approaches. We found that porous media heterogeneity is the main factor which causes uncertainties. We also found that uncertainties originating from modeling approaches greatly depend on the types of hydrological structures and heterogeneity of hydraulic conductivity values in the domain assigned by modelers. Uncertainties originating from modeling approaches decrease as the amount of labor and time spent increase, and iterations between investigation and analyses increases.     

Environmental impacts of shore-parallel breakwaters along Nagahama and Ohgata, District of Joetsu, Japan

A combination of sedimentological analysis of beach sands, field surveys and the assessment of the empirical methods for the breakwater design is used to investigate the impacts of offshore breakwaters on beach morphology along Nagahama and Ohgata. The results indicate that the nearshore sedimentation has been substantially disrupted due to the features formed behind the breakwaters stopping littoral transport, which led to sediment accretion on the updrift side of the breakwaters, and erosion on their downdrift side. Sedimentological analysis of beach sands made it possible to recognize the dominant process at the sections considered. In fact, the occurrence of strong offshore-going currents, the removal of finer mean grain size and the predominance of high-density heavy minerals led us to deduce that the two sections undergo a natural sedimentary imbalance.