Supercritical water oxidation of Quinazoline: Effects of conversion parameters and reaction mechanism

Gong, Yanmeng; Guo, Yang; Wang, Shuzhong; Song, Wenhan

doi:10.1016/j.watres.2016.05.001

Cited by 60 publications

(17 citation statements)

References 32 publications

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“…The ring-opening reaction was a rate-limiting step. The ring-opening reaction on the pyridine ring was more difficult than that on benzene, which was consistent with studies on quinazoline degradation [68,112]. The reaction pathway can be proposed as quinoline → secondary components → volatile species → gaseous products.…”

Section: Heterocyclic Compoundssupporting

confidence: 86%

“…When the temperature was above 823K, the reaction rate of pyrimidine degradation was significantly accelerated. Additionally, Ren et al [114] studied the degradation of quinolone in the SCWO process Gong et al [68,112] investigated the reaction pathways of quinazoline oxidation in SCW, and found the oxidation of quinazoline included two ring-opening reactions: the ring-opening reaction on the benzene ring and the ring-opening reaction on the pyrimidine ring. Since the two N atoms in the pyrimidine ring, whose presence was attributed to the low electron cloud density in the pyrimidine ring [113], had a stronger ability to attract electrons, The benzene ring would be vulnerable to oxidation.…”

Section: Heterocyclic Compoundsmentioning

confidence: 99%

“…Nitrogenous organic compounds were common refractory compounds in organic contaminants such as landfill leachate and sewage sludge [68,112,134]. Although the SCWO technology is an efficient water treatment technology that can achieve efficient degradation of organic pollutants and over 99% TOC removal rate, the effluents with high NH3 content still need further treatment to reach the standard discharge since the destruction of ammonia is the rate-limiting step in the SCWO of H2NNO adduct were calculated using Gaussian [144] software with the CBS-Q method [145] in the updated ammonia-ethanol co-oxidation model.…”

Section: Ammoniamentioning

confidence: 99%

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Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes

Jiang

Wang

et al. 2020

Applied Sciences

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Supercritical water oxidation (SCWO) is a promising wastewater treatment technology owing to its various advantages such as rapid reactions and non-polluting products. However, problems like corrosion and salt decomposition set obstacles to its commercialization. To address these problems, researchers have been developing the optimal reactor design and strengthening measures based on sufficient understandings of the degradation kinetics. The essence of the SCWO process and the roles of oxygen and hydrogen peroxide are summarized in this work. Then, the research status and progress of empirical models, semi-empirical models, and detailed chemical kinetic models (DCKMs) are systematically reviewed. Additionally, this paper is the first to summarize the research progress of quantum chemistry and molecular dynamics simulation. The challenge and further development of kinetics models for the optimization of reactors and the directional transformation of pollutants are pointed out.

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Section: Heterocyclic Compoundssupporting

confidence: 86%

Section: Heterocyclic Compoundsmentioning

confidence: 99%

Section: Ammoniamentioning

confidence: 99%

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Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes

Jiang

Wang

et al. 2020

Applied Sciences

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“…The other is a promotion effect of Brønsted acidity with increasing water density caused by water dissociation on acid sites due to a large ionic product of water [53]. Screening the literature reporting results on SCWO, it is notable that the oxidation in SCW is mainly performed in the GL region, with water densities lower than 200 kg m −3 [54].…”

Section: Supercritical Water As Reaction Mediummentioning

confidence: 99%

Functional Materials for Waste-to-Energy Processes in Supercritical Water

et al. 2021

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In response to increasing energy demand, various types of organic wastes, including industrial and municipal wastewaters, or biomass wastes, are considered reliable energy sources. Wastes are now treated in supercritical water (SCW) for non-fossil fuel production and energy recovery. Considering that SCW technologies are green and energetically effective, to implement them on a large scale is a worldwide interest. However, issues related to the stability and functionality of materials used in the harsh conditions of SCW reactors still need to be addressed. Here we present an overview on materials used in the SCW technologies for energy harvesting from wastes. There are catalysts based on metals or metal oxides, and we discuss on these materials’ efficiency and selectivity in SCW conditions. We focus on processes relevant to the waste-to-energy field, such as supercritical water gasification (SCWG) and supercritical water oxidation (SCWO). We discuss the results reported, mainly in the last decades in connection to the current concept of supercritical pseudo-boiling (PB), a phenomenon occurring at the phase change from liquid-like (LL) to gas-like (GL) state of a fluid. This review aims to be a useful database that provides guidelines for the selection of the abovementioned functional materials (catalysts, catalyst supports, and sorbents) for the SCW process, starting from wastes and ending with energy-relevant products.

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“…Используемые субстраты являются модельными соединениями биомассы [56,57], различных промышленных загрязнителей [58,59] …”

Section: превращения модельных соединений тяжелого нефтяного сырья в unclassified