Quantum Chemical Study on the Reaction Mechanism of NO Removal by Urea Combined with Hydrogen Peroxide

Wen, Zhengcheng; Shen, Hongzhe; Ding, Ning; Li, Yuan; Xu, Jiangrong

doi:10.1007/s13369-019-04282-y

Cited by 8 publications

(4 citation statements)

References 28 publications

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“…NaOH can accelerate the decomposition of H 2 O 2 , which generates •OH radicals with a stronger oxidation effect and promotes the removal of NO by (NH 2 ) 2 CO. The reactions of the NO in the alkaline (NH 2 ) 2 CO and H 2 O 2 removal solutions were as follows [10,46]:…”

Section: Effect Of Initial Ph Value On No X Removal Efficiencymentioning

confidence: 99%

“…Wet flue gas denitrification technology is based on wet desulfurization technology, with the addition of certain additives to the solution so that it can absorb NO X [4,5]. According to the different action modes of the additives and NO X , it can be mainly divided into oxidation absorption method [6][7][8][9], reduction absorption method [10,11] and complex absorption method [12,13]. The technology also overcomes the disadvantages of conventional denitrification technology, such as its complex process, large area, substantial investment and high operating cost [14].…”

Section: Introductionmentioning

confidence: 99%

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3D Printing Multi-Channel Large Volume Microchannel Reactor for Enhanced Removal of Low-Concentration NOx Flue Gas

Han

Zhou

et al. 2023

Processes

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Compared with conventional reactors that are designed by traditional micromachining technology, the use of 3D-printing technology to manufacture multichannel large-volume microchannel reactors as reaction equipment to remove low-concentration NOX by the wet method is simple and convenient, and the processing cost is low. The results showed that when the concentration of NO was 400 ppm, the mixed solution of (NH2)2CO mass fraction of 3% and H2O2 concentration of 0.5 mol/L was used, and the flow rates of gas and liquid were 100 mL/min, respectively, under the experimental conditions of pH = 11, solution temperature of 20 °C and 500 mL solution recycling for 20 min, the best removal effect of NOX was achieved, and the removal efficiency was 100%. When the O2 content in the flue gas was increased and the number and length of microchannels were increased, the NOX removal efficiency increased accordingly, which was conducive to the rapid and efficient reaction. The application of the microchannel reactor presents a new method for improving the air quality and reducing environmental pollution in the future.

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Section: Effect Of Initial Ph Value On No X Removal Efficiencymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

3D Printing Multi-Channel Large Volume Microchannel Reactor for Enhanced Removal of Low-Concentration NOx Flue Gas

Han

Zhou

et al. 2023

Processes

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“…(71.12 kJ/mol). 10 Gong et al exploited four Fe active sites on the surface of α-Fe 2 O 3 (001) to probe the impact of various activation methods and dissolved organic substances (DOM) on the energy barriers of H 2 O 2 activation to *OH (44.89 kJ/mol). 11 Li et al explored the dissociation of H 2 O 2 on hexagonal boron nitride and obtained seven possible species, among which the energy barrier of H 2 O 2 activation to *OH was 86.6 kcal/mol.…”

Section: Introductionmentioning

confidence: 99%

“…Hydrogen peroxide (H 2 O 2 ), one of the 100 most important chemicals in the world, is often used as an oxidant, disinfectant, and bleach in chemical industries. , The energy required for NO to be oxidized by H 2 O 2 was determined by Wen et al after studying the de-oxidation of NO with H 2 O 2 urea solution. (71.12 kJ/mol) . Gong et al exploited four Fe active sites on the surface of α-Fe 2 O 3 (001) to probe the impact of various activation methods and dissolved organic substances (DOM) on the energy barriers of H 2 O 2 activation to *OH (44.89 kJ/mol) .…”

Section: Introductionmentioning

confidence: 99%

NO Oxidation Using H₂O₂ at a Single-Atom Iron Catalyst

et al. 2023

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Nitrogen oxide (NO) is a major worldwide environmental pollutant, which can be eliminated effectively by catalytic oxidation. However, conventional catalysts generally suffer from poor activity and low oxidation rates, limiting the development of gas pollutant removal. To overcome this issue, the high activity of a single-atom catalyst and the strong oxidizability of H2O2 are proposed for the catalytic oxidation of NO in this work. Herein, the 14 reaction pathways of NO oxidation using H2O2 were obtained through spin-polarized density functional theory calculation with van der Waals corrections and microkinetic modeling. Considering the possible H2O2 activation products of *OH, *OOH, and *O, we obtained the dominant reaction pathways for different oxidizing species: (i) Langmuir–Hinshelwood mechanism of *OH (mainly forming *HNO2), (ii) Eley–Rideal mechanism of *O (forming *NO2), and (iii) *OOH (forming *HNO3), with the energy barriers of 0.94, 1.42, and 0.14 eV, respectively. Among the three reaction patterns, NO oxidation using *OOH is the most favorable, with the highest reaction rate. *HNO3 is the most likely oxidation product of NO oxidation using H2O2. Meanwhile, it is notable that the *OH catalytic oxidation of NO has multiple reaction pathways and products, including HNO2, NO2, and HNO3. Compared to the use of conventional oxidants and catalysts, using H2O2 to oxidize NO at Fe–N4–C catalyst has lower reaction energy barriers and allows for the deep oxidation of NO. This study illustrates the reaction pathway of NO oxidation using H2O2 and demonstrates that it is theoretically feasible, which provides guidance for the subsequent preparation of the material.

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Study on removing NO from simulated marine diesel engine exhaust gas using the novel composite system of Ozone-Na2SO3/(NH2)2CO

Zhang

Zhou

et al. 2022

Chemical Engineering Journal

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Quantum Chemical Study on the Reaction Mechanism of NO Removal by Urea Combined with Hydrogen Peroxide

Cited by 8 publications

References 28 publications

3D Printing Multi-Channel Large Volume Microchannel Reactor for Enhanced Removal of Low-Concentration NOx Flue Gas

3D Printing Multi-Channel Large Volume Microchannel Reactor for Enhanced Removal of Low-Concentration NOx Flue Gas

NO Oxidation Using H₂O₂ at a Single-Atom Iron Catalyst

Study on removing NO from simulated marine diesel engine exhaust gas using the novel composite system of Ozone-Na2SO3/(NH2)2CO

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Quantum Chemical Study on the Reaction Mechanism of NO Removal by Urea Combined with Hydrogen Peroxide

Cited by 8 publications

References 28 publications

3D Printing Multi-Channel Large Volume Microchannel Reactor for Enhanced Removal of Low-Concentration NOx Flue Gas

3D Printing Multi-Channel Large Volume Microchannel Reactor for Enhanced Removal of Low-Concentration NOx Flue Gas

NO Oxidation Using H2O2 at a Single-Atom Iron Catalyst

Study on removing NO from simulated marine diesel engine exhaust gas using the novel composite system of Ozone-Na2SO3/(NH2)2CO

Contact Info

Product

Resources

About

NO Oxidation Using H₂O₂ at a Single-Atom Iron Catalyst