Browsing by Author "Zhang, Yue"
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Item Open Access The effect of H2O on formation mechanism of arsenic oxide during arsenopyrite oxidation: Experimental and theoretical analysis(Elsevier, 2019-12-07) Zou, Chan; Wang, Chunbo; Chen, Liang; Zhang, Yue; Xing, Jiaying; Anthony, Edward J.The effect of H2O on arsenic release behavior was investigated via experiment and first-principles density functional theory (DFT). The experimental results show that sulfide-bound arsenic is the main form present in coal, and that H2O has a positive influence on the release of arsenic during coal combustion. Furthermore, DFT calculations were performed to investigate the mechanism for H2O influence on arsenic oxidation. Thermodynamic and kinetic analyses were also conducted to study the influence of temperature on the reaction process. From thermodynamic analysis, arsenic oxide formation on the FeS2 (1 0 0) surface with and without H2O weakens with increasing temperature. In addition, the equilibrium constant for the reaction with H2O addition is slightly higher than that for the reaction without H2O, which suggests that the degree of the chemical reaction in the presence of H2O should increase. From kinetic analysis, the reaction rate constants increase with temperature, and the activation energy of the arsenic oxide formation reaction with and without H2O is 100.72 kJ/mol and 124.08 kJ/mol, respectively. This indicates that H2O adsorption on the surface can decrease the energy barrier and accelerate the reaction forming arsenic oxide. Based on the thermodynamic and kinetic analyses, it can be concluded that temperature has an inhibitory influence on reaction equilibrium and positive influence on the reaction rate. The experiment and calculation results explain the influence of H2O on the formation mechanism of arsenic oxide and provide a theoretical foundation for the emission and control of arsenic.Item Open Access Investigation of the impact of trace elements on anaerobic volatile fatty acid degradation using a fractional factorial experimental design(Elsevier, 2017-09-05) Jiang, Ying; Zhang, Yue; Banks, Charles; Heaven, Sonia; Longhurst, PhilipThe requirement of trace elements (TE) in anaerobic digestion process is widely documented. However, little is understood regarding the specific requirement of elements and their critical concentrations under different operating conditions such as substrate characterisation and temperature. In this study, a flask batch trial using fractional factorial design is conducted to investigate volatile fatty acids (VFA) anaerobic degradation rate under the influence of the individual and combined effect of six TEs (Co, Ni, Mo, Se, Fe and W). The experiment inoculated with food waste digestate, spiked with sodium acetate and sodium propionate both to 10 g/l. This is followed by the addition of a selection of the six elements in accordance with a 26−2 fractional factorial principle. The experiment is conducted in duplicate and the degradation of VFA is regularly monitored. Factorial effect analysis on the experimental results reveals that within these experimental conditions, Se has a key role in promoting the degradation rates of both acetic and propionic acids; Mo and Co are found to have a modest effect on increasing propionic acid degradation rate. It is also revealed that Ni shows some inhibitory effects on VFA degradation, possibly due to its toxicity. Additionally, regression coefficients for the main and second order effects are calculated to establish regression models for VFA degradation.Item Open Access Quantifying the percentage of methane formation via acetoclastic and syntrophic acetate oxidation pathways in anaerobic digesters(Elsevier, 2017-04-07) Jiang, Ying; Banks, Charles; Zhang, Yue; Heaven, Sonia; Longhurst, Philip J.Ammonia concentration is one of the key factors influencing the methanogenic community composition and dominant methanogenic pathway in anaerobic digesters. This study adopted a radiolabelling technique using [2-14C] acetate to investigate the relationship between total ammonia nitrogen (TAN) and the methanogenic pathway. The radiolabelling experiments determined the ratio of 14CO2 and 14CH4 in the biogas which was used to quantitatively determine the percentage of CH4 derived from acetoclastic and syntrophic acetate oxidation routes, respectively. This technique was performed on a selection of mesophilic digesters representing samples of low to high TAN concentrations (0.2–11.1 g kg−1 wet weight). In high TAN digesters, the ratio between 14CO2 and 14CH4 was in the range 2.1–3.0; indicating 68–75% of methane was produced via the hydrogenotrophic route; whereas in low ammonia samples the ratio was 0.1–0.3, indicating 9–23% of methane was produced by the hydrogenotrophic route. These findings have been confirmed further by phylogenetic studies.Item Open Access Scaling-up engineering biology for enhanced environmental solutions(American Chemical Society (ACS), 2024-06-21) Hassard, Francis; Curtis, Thomas P.; Dotro, Gabriela C.; Golyshin, Peter; Gutierrez, Tony; Heaven, Sonia; Horsfall, Louise; Jefferson, Bruce; Jones, Davey L.; Krasnogor, Natalio; Kumar, Vinod; Lea-Smith, David J.; Le Corre Pidou, Kristell; Liu, Yongqiang; Lyu, Tao; McCarthy, Ronan R.; McKew, Boyd; Smith, Cindy; Yakunin, Alexander; Yang, Zhugen; Zhang, Yue; Coulon, FredericSynthetic biology (SynBio) offers transformative solutions for addressing environmental challenges by engineering organisms capable of degrading pollutants, enhancing carbon sequestration, and valorizing waste (Figure 1). These innovations hold the potential to revolutionize bioremediation strategies, ecosystem restoration, and sustainable environmental management.Item Open Access Vaporization model for arsenic during single-particle coal combustion: Model development(Elsevier, 2019-03-15) Liu, Huimin; Wang, Chunbo; Zhang, Yue; Zou, Chan; Anthony, Edward J.The kinetic parameters for chemical reactions associated with the vaporization of arsenic species are rarely reported due to the difficulties in obtaining suitably purified arsenic compounds as well as the issues associated with the extreme toxicity of many arsenic species. Here, we used a single-particle coal combustion model combined with a vaporization yield model of arsenic fitted by experimental data, which was used to determine the activation energy and frequency factor of the oxidation/decomposition reactions of arsenic species in this work, namely: As-org, FeAsS, FeAsO4 and Ca3(AsO4)2. The combustion kinetics of volatile/char and arsenic thermodynamic properties were used to model the vaporization zone and intensity of emissions for arsenic compounds. The results show that the reaction kinetic parameters of these arsenic species could be determined within an order of magnitude despite the variation of compositions in the coal sample and temperature, and this approach provides a new method to determine the reaction kinetics of hazardous elements such as As. Combining the vaporization yield and reaction kinetics of arsenic species with the single-particle coal combustion model, a novel vaporization model of arsenic was developed. With this model, the temporal evolution of combustion parameters (temperature, conversion ratio of coal, particle porosity, flue gas concentration) as well as arsenic vaporization ratio and As2O3(g) concentration can be predicted at the microscopic level.