Supercritical water oxidation of quinazoline: Reaction kinetics and modeling

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

doi:10.1016/j.watres.2016.12.015

Cited by 24 publications

(7 citation statements)

References 26 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%

“…Additionally, temperature also greatly affected the formation of free radicals. In the study on the degradation of organic compounds such as methanol [66], ethyl acetate [67] and quinazoline [68], some scholars found that temperature rise effectively shortened the induction time. Henrikson et al [69] believed that even at the same temperature, different water densities might accelerate or hinder the process of SCW reaction.…”

Section: Ionic Reactions and Free Radical Reactionsmentioning

confidence: 99%

“…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%

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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: Ionic Reactions and Free Radical Reactionsmentioning

confidence: 99%

Section: Heterocyclic Compoundsmentioning

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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“…Recently, high temperature water has attracted much attention as environmentally benign media for reactions, such as oxidation, extraction, hydrolysis, gasification,, hydrogenation or dehydrogenation, and lignin carbonization, and synthesis . In the present study, we studied the conversion kinetics of compound 2 and 1 in high temperature water.…”

Section: Figurementioning

confidence: 99%

Reaction Kinetics and Pathways for Salvianolic Acid B in High Temperature Water

Cheng

et al. 2018

ChemistrySelect

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A kinetic model for the production of salvianolic acid A (Sal A) from salvianolic acid B (Sal B) in high temperaturel water was proposed. The kinetic model includes the following key steps: (1) Sal B hydrolysis and decarboxylation to form salvianolic acid A (Sal A); (2) Sal B reversion/polymization to produce humins (polymerized insoluble carbonaceous species); (3) Sal A cyclization to form Sal C; (4) Sal A degradation to produce humins; (5) Sal C degradation to produce procatechuic aldehyde (PA) and danshensu (DSS). From kinetic analysis, relatively high temperatures are essential for maximum Sal A yield and relatively low temperatures are essential for maximum Sal C yield. The reaction model in this study can be used to predict the optimal production conditions for Sal A in the extraction reaction. Moreover, we also studied the extraction yields of Sal A from Salvia miltiorrhiza Bunge. The results showed that this method was suitable for production of Sal A, but there is no obvious advantage for production of Sal C.

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“…Hetero-atoms in organic matters are mineralized into corresponding acids or inorganic salts, and the formation of nitrous oxides is inhibited owing to the low reaction temperature. SCWO is particularly suitable for disposing organic wastewaters with high toxicity, high concentration, and bio-refractory components [2][3][4]. It can also recover energy and achieve heat self-sufficiency easily to ensure an economic advantage [5].…”

Section: Introductionmentioning

confidence: 99%

Supercritical Water Oxidation for Environmentally Friendly Treatment of Organic Wastes

Li¹,

Wang²

2020

Advanced Supercritical Fluids Technologies

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Supercritical water oxidation is a promising, environment-friendly technology to efficiently deal with a wide variety of organic wastes such as wastewaters, industrial and municipal sludge, etc. As for the two key problems, i.e., corrosion and salt plugging, generally encountered in supercritical water oxidation plants, this chapter firstly reported the related mechanism analysis, solutions, research status, and development trends, respectively. From the perspectives of corrosion prevention and control, safety and automatic control, economic improvements, and development of novel reactors, a number of advanced technologies and equipment such as on-line desalination in supercritical water, new operation scheme assisted secondary traditional treatment, produced-gas recovery and oxygen reuse and novel TWM reactor, etc., were introduced systematically. Finally, this chapter summarizes the implementation status of industrial plants and the technological features of several firms being active in the construction of full-scale supercritical water oxidation plants. This chapter will provide very valuable information for the researchers and engineers who are interested in supercritical water oxidation for the harmless treatment of organic pollutants.

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Supercritical water oxidation of quinazoline: Reaction kinetics and modeling

Cited by 24 publications

References 26 publications

Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes

Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes

Reaction Kinetics and Pathways for Salvianolic Acid B in High Temperature Water

Supercritical Water Oxidation for Environmentally Friendly Treatment of Organic Wastes

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