Kinetics study on hydrothermal combustion of methanol in supercritical water

Zhang, Jie; Wang, Shuzhong; Xu, Donghai; Ren, Mengmeng; Jiang, Liting

doi:10.1016/j.cherd.2015.05.002

Cited by 12 publications

(7 citation statements)

References 63 publications

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“…In order to discuss how the methanol co‐oxidized the acetic acid and the phenol in SCW, calculations for the SCWO of the ternary mixture of methanol/acetic acid/phenol were implemented based on the detailed chemical kinetics model (DCKM). The DCKM models for the SCWO of methanol, acetic acid, and phenol are the models that have been validated in our previous studies, which have successfully reproduced the experimental trends of the influence of the co‐oxidation of methanol on acetic acid and phenol decomposition during the binary mixture SCWO process. In this investigation, the elementary reaction kinetics model for the SCWO of the three compounds was integrated to obtain the mechanism‐based kinetic model for the SCWO of the ternary mixture, including 47 species and 144 elementary reactions.…”

Section: Resultsmentioning

confidence: 99%

Experimental and kinetics study on oxidation of three‐component in supercritical water

et al. 2019

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The supercritical water oxidation of a methanol, acetic acid, and phenol mixture was investigated in this study. The experimental design was accomplished by means of response surface methodology. 16 experimental runs were performed in a continuous tubular reactor. Quadratic polynomial equations with a satisfactory data fit and accuracy were established on the basis of the experimental results. The calculation results demonstrate the promotion behaviour of methanol, the inhibition behaviour of acetic acid, and the positive effect of phenol on the supercritical water oxidation of the ternary mixture. The interactive effect of the mechanism was characterized by means of the computational simulation with the mechanism‐based kinetic model. It seems that the positive influence of methanol was derived from the co‐oxidation effect of the methanol in the destruction of both acetic acid and phenol. The oxidation of acetic acid was restrained in the mixture system, which is attributed to the more favourable radical capture for phenol, and, thus, the overall disappearance kinetics was retarded with the addition of acetic acid. Finally, the co‐oxidation enhancement of both methanol and acetic acid related to phenol oxidation in supercritical water contributed to the positive effect of phenol on mixture oxidation efficiencies.

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Section: Resultsmentioning

confidence: 99%

Experimental and kinetics study on oxidation of three‐component in supercritical water

et al. 2019

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“…No (numerical simulation) Built and validated the detailed chemical kinetics model for methanol SCHC [39] No (numerical simulation) Investigated the effects of operation parameters like methanol concentration on the characteristics of the hydrothermal flame [61] No (numerical simulation) Built and validated the detailed chemical kinetics model coupled with a simple flow model for methanol SCHC [40] Semi-batch rector Verified that quinoline solutions could be ignited without co-fuels like methanol and isopropanol [41] No (numerical simulation)…”

Section: Continuous Reactorsmentioning

confidence: 99%

“…Since 2005, Xi'an Jiaotong University has been committed to the research on the SCHC theories and applications, such as the mechanism and process development of clean conversion and utilization of coal-based fuels [20,21], the mechanism and kinetics of hydrothermal combustion of methanol and other alcohol fuels [39,40,78], the development of high-efficiency HFR [70] and multi-component thermal fluid generator [79]. Its laboratory now has one multi-functional SCHC bench, whose main reactor is shown as below (Figure 5a).…”

Section: Xi'an Jiaotong Universitymentioning

confidence: 99%

“…Taking methanol [28,29] and isopropanol [17,[30][31][32][33][34][35][36][37] as the auxiliary fuels, the University of Valladolid has optimized their TWRs [33,37] to study the characteristics and effects of hydrothermal flame enhanced SCWO treatment for recalcitrant pollutants. Xi'an Jiaotong University has been gradually expanding its research from coal [20] to high-concentration textile wastewater [38] to methanol [39,40], sludge [38] and quinoline [41] and a series of other fuels in its self-designed reactor [42].…”

Section: Introductionmentioning

confidence: 99%

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Review on an Advanced Combustion Technology: Supercritical Hydrothermal Combustion

Cui

Wang

et al. 2020

Applied Sciences

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Supercritical hydrothermal combustion, a new and promising homogeneous combustion technology with a wide range of application scenarios and broad development prospects, provides creative ideas and means for the enhanced degradation of organic wastes, hydrothermal spallation drilling, thermal recovery of heavy oil, etc. This technology is elaborated upon in five parts: (1) introducing the main devices including semi-batch reactor and continuous reactor to study the hydrothermal flame in accordance with research institutions, (2) presenting the research status of related numerical simulation from the angles of reaction kinetics and flow-reaction, (3) summarizing the characteristics of hydrothermal flame and combustion by five key parameters, (4) dividing up ignition process and explaining ignition mechanism from the perspectives of critical physical properties of water and heat transfer and mixing conditions, (5) discussing and forecasting its industrial applications including hydrothermal spallation drilling, the thermal recovery of heavy oil, the clean conversion and utilization of coal-based fuel, and the harmless treatment of pollutants. By and large, this paper analyzed in detail everything from experimental equipment to industrial applications, from combustion characteristics to ignition mechanisms, and from summary conclusions to prospect prediction. In the end, herein is summarized a couple of existing paramount scientific and technical obstacles in hydrothermal combustion. Further significant studies in the future should include excellent reactors, advanced monitoring techniques, and powerful computational fluid dynamics.

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“…HO 2 • is as important as HO• free radical in the SCWO process. Some studies have shown that the concentration of HO 2 • is several orders of magnitude higher than that of HO• in the SCWO process [71,72]. Ren et al explored the key elementary reactions in the thermal combustion process of methanol in SCW through sensitivity analysis.…”

Section: Ionic Reactions and Free Radical Reactionsmentioning

confidence: 99%

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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Kinetics study on hydrothermal combustion of methanol in supercritical water

Cited by 12 publications

References 63 publications

Experimental and kinetics study on oxidation of three‐component in supercritical water

Experimental and kinetics study on oxidation of three‐component in supercritical water

Review on an Advanced Combustion Technology: Supercritical Hydrothermal Combustion

Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes

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