Reassessing the atmospheric oxidation mechanism of toluene

Photochemical oxidation of aromatic hydrocarbons leads to tropospheric ozone and secondary organic aerosol (SOA) formation, with profound implications for air quality, human health, and climate. Toluene is the most abundant aromatic compound under urban environments, but its detailed chemical oxidation mechanism remains uncertain. From combined laboratory experiments and quantum chemical calculations, we show a toluene oxidation mechanism that is different from the one adopted in current atmospheric models. Our experimental work indicates a larger-than-expected branching ratio for cresols, but a negligible formation of ring-opening products (e.g., methylglyoxal). Quantum chemical calculations also demonstrate that cresols are much more stable than their corresponding peroxy radicals, and, for the most favorable OH (ortho) addition, the pathway of H extraction by O_2 to form the cresol proceeds with a smaller barrier than O_2 addition to form the peroxy radical. Our results reveal that phenolic (rather than peroxy radical) formation represents the dominant pathway for toluene oxidation, highlighting the necessity to reassess its role in ozone and SOA formation in the atmosphere

Effects of fermentative and non-fermentative additives on silage quality and anaerobic digestion performance of Pennisetum purpureum

The effect of additives on the silage quality, microbial community, and anaerobic digestion performance of Pennisetum purpureum with high moisture content was studied. The sample treated with a mixed additive had best silage quality with the lowest pH and highest lactic acid/acetic acid ratio. Different additives influenced the dominant desirable bacteria. Correspondingly, Enterobacter was the dominant bacterial genus for sample with non-fermentative additives, whereas for the samples with fermentative or mixed additives, both Enterobacter and Lactobacillus had high relative abundance. The parameters of NH3-N, hemicellulose and lactic acid were positively correlated with the specific methane yield, while the lignin content was inversely correlated with the specific methane yield. The higher specific methane yield of 293.81 +/- 0.15-334.69 +/- 22.75 mL/g VS was obtained for samples treated with fermentative additive. Therefore, the mixed additive and fermentative additive are recommended for the silage of material with high-moisture content to improve the silage quality and methane yield