Hydroxyl radical-mediated degradation of diclofenac revisited: a computational approach to assessment of reaction mechanisms and by-products

Environmental Science and Pollution Research - Advanced oxidation processes (AOPs) are based on the in situ production of hydroxyl radicals (•OH) and reactive oxygen species (ROS) in water...     

The effect of cyclic aerobic-anoxic conditions on biodegradation of benzoate.

The response of a mixed microbial culture to cyclic aerobic and anoxic (denitrifying) conditions was studied in a chemostat with a 48-hour hydraulic residence time receiving a feed containing benzoate and pyruvate. When the cyclic conditions were 3-hour aerobic and 9-hour anoxic, the bacteria-degraded benzoate aerobically via the catechol 2,3-dioxygenase (C23DO) pathway. The quantity of C23DO remained constant throughout the anoxic period but decreased during the initial portion of the aerobic period before returning to the level present in the anoxic period. Anoxic biodegradation of benzoate was via benzoyl-CoA reductase, which remained constant regardless of the redox condition. The aerobic benzoate uptake capability (AeBUC) of the culture increased during the aerobic period but decreased during the anoxic period. The anoxic benzoate uptake capability (AnBUC) exhibited the opposite response. When the cycle was 6-hour aerobic and 6-hour anoxic, aerobic biodegradation of benzoate proceeded via the protocatechuate 4,5-dioxygenase (P45DO) pathway. The P45DO activity decreased early in the aerobic period, but then increased to the level present during the anoxic period. The level of benzoyl-CoA reductase was constant throughout the cycle. Furthermore, AeBUC and AnBUC responded in much the same way as in the 3/9-hour chemostat. During a 9-hour aerobic and 3-hour anoxic cycle, the culture synthesized both P45DO and C23DO, with the former having significantly higher activity. Unlike the other two cycles, AeBUC changed little during the aerobic period, although AnBUC decreased. The culture was well-adapted to the cyclic conditions as evidenced by the lack of accumulation of either substrate during any cycle tested. This suggests that cyclic aerobic-anoxic processes can be used in industrial wastewater-treatment facilities receiving significant quantities of simple aromatic compounds like benzoate. However, the results showed that the kinetics of benzoate degradation were different under aerobic and anoxic conditions, a situation that must be considered when modeling cyclic bioreactors receiving aromatic compounds.     

A review of 10 × 10 and 20 × 20 grid-type wind turbine placement problems solving by metaheuristics

Environmental Science and Pollution Research - Wind energy is the most important renewable energy source produced by wind turbines. The optimal placement of wind turbines is a challenging binary...     

Performance Enhancement of a Beta Type Rhombic Drive Stirling engine

ABSTRACT

Stirling engines maintain attraction because of their high energy conversion efficiencies. In this study, experimental comparison of a beta-type Stirling engine for two different rhombic-drive mechanisms was presented. In one of the rhombic mechanisms, spur gears were used and the gear shaft was supported in bearings from one side. In the other mechanism, two helical gears were placed on crankshafts and the crankshafts were supported in bearings from both sides. Rhombus lengths of the mechanisms were determined as 66 mm and 80 mm to provide same constant compression ratio of 2.5 for both configurations. Both mechanisms were used in the same beta-type Stirling engine having same cylinder, piston and displacer dimensions. Performance parameters of the engines were evaluated at different helium charge pressures (2–4 bar) and hot-end temperatures (400–600°C). The hot-end of the displacer cylinder was heated by a liquefied petroleum gas (LPG) burner. The engine power increased by 132%, friction losses and gear noses were reduced by supporting the rhombic-drive mechanism from both side and using helical gears. The maximum output torque and power of the engine were obtained as 13.14 Nm at 428 rpm engine speed and 663 W at 800 rpm engine speed, respectively, at 600°C hot-end temperature and 4 bar charge pressure.     

Biosorption of Cr(VI) by free and immobilized Pediastrum boryanum biomass: equilibrium, kinetic, and thermodynamic studies

Background and purpose

The biosorption of Cr(VI) from aqueous solution has been studied using free and immobilized Pediastrum boryanum cells in a batch system. The algal cells were immobilized in alginate and alginate?Cgelatin beads via entrapment, and their algal cell free counterparts were used as control systems during biosorption studies of Cr(VI).

Methods

The changes in the functional groups of the biosorbents formulations were confirmed by Fourier transform infrared spectra. The effect of pH, equilibrium time, initial concentration of metal ions, and temperature on the biosorption of Cr(VI) ion was investigated.

Results

The maximum Cr(VI) biosorption capacities were found to be 17.3, 6.73, 14.0, 23.8, and 29.6?mg/g for the free algal cells, and alginate, alginate?Cgelatin, alginate?Ccells, and alginate?Cgelatin?Ccells at pH?2.0, which are corresponding to an initial Cr(VI) concentration of 400?mg/L. The biosorption of Cr(VI) on all the tested biosorbents (P. boryanum cells, alginate, alginate?Cgelatin, and alginate?Ccells, alginate?Cgelatin?Ccells) followed Langmuir adsorption isotherm model.

Conclusion

The thermodynamic studies indicated that the biosorption process was spontaneous and endothermic in nature under studied conditions. For all the tested biosorbents, biosorption kinetic was best described by the pseudo-second-order model.     

A model for prediction of product distributions for the reactions of phenol derivatives with hydroxyl radicals

In this study, with the intention of estimating the photocatalytic or photodegradation rates and finding certain predictors to be used for the determination of the most probable reaction path and the primary intermediate, the reactions of (*)OH radicals with 11 phenol derivatives including benzene were modeled. For 43 possible reaction routes, calculations of the geometric parameters, the electronic and thermodynamic properties of the reactants, the product radicals and the transition state complexes were performed with the semiempirical PM3 and DFT/B3LYP/6-31G(*) methods. The solvation effects were computed using COSMO as the solvation model. Based on the results of quantum mechanical calculations, the rate constants, the branching ratios and the product distributions of all the possible reaction paths were calculated by means of the transition state theory. Three predictors were determined for the prediction of the most probable transition state and the reaction path. The differences in the reaction rates were explained in terms of the presence of hydrogen bonds in the transition state complexes and the entropy effects. Finally the results obtained were compared with the available experimental data in order to assess the reliability of the proposed model.     

A study on the Cr(VI) removal from aqueous solutions by steel wool

The reduction of Cr(VI) by steel wool and the precipitation of reduced chromium by CaCO(3) powder and NaOH solution were investigated in continuous and batch systems, respectively. The effects of acid and initial Cr(VI) concentrations, volumetric rate and temperature of solution on Cr(VI) reduction were studied. The results showed that the reduction of Cr(VI), to a large extent, depended on, and increased with, acid concentration. The Cr(III) and iron ions in the reduced solution were completely precipitated by using NaOH solution at appropriate alkaline conditions. It was concluded that CaCO(3) powder could be used as a cheap precipitant for Cr(III) ions. But the iron ions in the reduced solution could not be fully removed by using this precipitant.     

Determination of roadside noise reduction effectiveness of Pinus sylvestris L. and Populus nigra L. in Erzurum, Turkey

This study was carried out to determine the noise-reduction effectiveness of the Pinus sylvestris L. and Populus nigra L. trees along the E-80 State highway in Erzurum-Turkey. Noise values were taken at three measurement points; open (without trees and taken as control), the urban forests of pure P. sylvestris L. and P. nigra L. areas, and at four different distances; 0 (near the noise source), 25, 50 and 75 m from the noise source. At the distance of 25 m from the source, the noise value was 78.5 dB(A) in the control area, which was reduced 75.5 dB(A) and 69.2 dB(A) in the P. nigra L. and P. sylvestris L. areas, with the reduction rates of 24.7 and 31% compared to the control, respectively. This value was 69.6, 67.1 and 64.3 at the distance of 50 m and 64.9, 62.5 and 59.2 at 75 m for the naked, P. nigra L. and P. sylvestris L. areas, respectively. From the results of the study, it was suggested that for the noise pollution from the traffic flow on the roads, in especially the big cities, noise reduction zones with suitable width and plant species should be formed along the main arteries of the cities.