Following the analysis of the reactive routine of methanol oxidation, a new reduced chemical kinetic mechanism has been developed for investigation of methanol oxidation. The reduced model involves 17 species undergoing 40 reactions and has been validated against a series of experimental measurements. Experimental data from shock tubes, flow reactors, and static reactors showed that, when the temperature is between 823 and 2180 K, the pressure is between 0.005 and 2.0 MPa, and the equivalence ratio is between 0.2 and 2.6, the proposed mechanism can predict the methanol oxidation process quite well. The premixed laminar flame speeds and ignition delay times computed by this mechanism have demonstrated good agreement with the experimental data as well. Moreover, the reactive intermediates and radicals in static reactors, flow reactors, and premixed laminar flames can also been predicted very well, using this reduced mechanism. Compared with other comprehensive mechanisms, the reduced model is validated by more experimental measurements and a large number of reaction steps involved in the base mechanism have been markedly simplified, while its essential features remain.
Endocrine-disrupting chemicals (EDCs) that exist in the aquatic system bring severe environmental risks. In this study, we investigate the dissolved organic matter (DOM) effect on the release and distribution of EDCs under varied hydrodynamic conditions. A water chamber mesocosm was designed to simulate the hydrodynamic forces in a shallow lake. The contents of bisphenol A (BPA) and nonylphenol (NP) in colloid-bound and soluble phases were measured under four increasing hydrodynamic intensities that were 5%, 20%, 50%, and 80% of the critical shear stress. The total BPA and NP contents in overlying water grew linearly with the hydrodynamic intensity (R2 = 0.997 and 0.987), from 108.28 to 415.92 ng/L of BPA and 87.73 to 255.52 ng/L of NP. The exponential relationships of EDC content and hydrodynamic intensity in soluble phase (R2 = 0.985 of BPA and 0.987 of NP) and colloid phase (R2 = 0.992 of BPA and 0.995 of NP) were also detected. The DOM concentrations in colloid-bound phase (cDOM) and in soluble phase (sDOM) were measured and the linear relationships with BPA content (R2 = 0.967 of cDOM and 0.989 of sDOM) and NP content (R2 = 0.978 of cDOM and 0.965 of sDOM) were detected. We analyzed the ratio (αDOM) of sDOM and cDOM that grew logarithmically with the hydrodynamic intensity (R2 = 0.999). Moreover, the ratio (αEDCs) of BPA and NP contents in soluble and colloid-bound phases varied differently with αDOM. The results suggested that BPA tended to be in the soluble phase and NP tended to be in the colloid-bound phase due to the increasing value of αDOM.
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