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Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

Frontiers of Environmental Science & Engineering 2016, Volume 10, Issue 5, doi: 10.1007/s11783-016-0836-z

Abstract: We studied the heterogeneous reaction mechanism of gaseous HNO with solid NaCl.Water molecules induce surface reconstruction of NaCl to facilitate the reaction.This paper aimed at the heterogeneous reaction between gaseous HNO and solid NaCl.The mechanism was investigated by density functional theory (DFT).imply that water molecules induce the surface reconstruction, which is essential for the heterogeneous reaction

Keywords： Seasalt particles     NaCl     HNO3     Heterogeneous reaction     Reaction mechanism     Density functional theory    

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Impact and inhibitory mechanism of phenolic compounds on the formation of toxic Maillard reaction products

Jing TENG, Xiaoqian HU, Ningping TAO, Mingfu WANG

Frontiers of Agricultural Science and Engineering 2018, Volume 5, Issue 3,   Pages 321-329 doi: 10.15302/J-FASE-2017182

Abstract:

As one of the dominant reactions occurring during thermal treatment of food, the Maillard reactionformation of acrylamide, heterocyclic amines and advanced glycation end products formed during the Maillard reactionradicals, but also react with reactive carbonyl species, thus lowering the formation of toxic Maillard reaction

Keywords： advanced glycation end products     acrylamide     food safety     heterocyclic amine     Maillard reaction     polyphenols    

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Alkali-silica Reaction and Alkali-carbonate Reaction

Tang Mingshu

Strategic Study of CAE 2000, Volume 2, Issue 1,   Pages 34-40

Abstract:

Alkali-aggregate reaction (AAR) may be divided into two kinds： alkali-silica reaction (ASR) and alkali-carbonatereaction (ACR).The chemical reaction between the reactive aggregate and alkali causes serious expansion and resultscharacteristics and differences between ASR and ACR were discussed in detail from expansive process, mechanismThese results will help to deeply understand the essential of mechanism of AAR.

Keywords： alkali     aggregate     silica     carbonate     concrete deterioration     mechanism    

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Solid-state NMR for metal-containing zeolites: From active sites to reaction mechanism

Xingling Zhao, Jun Xu, Feng Deng

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 2,   Pages 159-187 doi: 10.1007/s11705-019-1885-1

Abstract: To understand the nature of metal active sites and the reaction mechanism over such catalysts is of great

Keywords： metal-containing zeolites     solid-state NMR     active site     host-guest interaction     reaction mechanism    

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Extraction of hydrogen chloride by a coupled reaction-solvent extraction process

Yunzhao Li,Xingfu Song,Guilan Chen,Shuying Sun,Yanxia Xu,Jianguo Yu

Frontiers of Chemical Science and Engineering 2015, Volume 9, Issue 4,   Pages 479-487 doi: 10.1007/s11705-015-1512-8

Abstract: A coupled reaction-solvent extraction process was used to remove HCl from a simulated distiller wasteFor the direct extraction, the mechanism involved the formation of hydrogen bonds at high concentrations

Keywords： hydrogen chloride     distiller waste     coupled reaction and solvent extraction     N235     extraction mechanism    

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Experimental research on catalysts and their catalytic mechanism for hydrogen production by gasification

PEI Aixia, GUO Liejin, JIN Hui

Frontiers in Energy 2007, Volume 1, Issue 4,   Pages 451-456 doi: 10.1007/s11708-007-0066-2

Abstract: The experimental results show that different catalysts have greatly different effects on the reactionIn addition, the catalytic mechanisms of different catalysts were analyzed, and the possible reaction

Keywords： presence     Raney-Ni     biomass     optimization mixture     possible reaction    

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Operando modeling and measurements: Powerful tools for revealing the mechanism of alkali carbonate-based

Frontiers in Energy 2023, Volume 17, Issue 3,   Pages 380-389 doi: 10.1007/s11708-023-0872-x

Abstract: This paper proposed that operando modeling and measurements are powerful tools to understand the mechanismThe hygroscopicity of sorbent and the humidity of gas flow are crucial to shifting the carbonation reaction

Keywords： CO2 capture     carbonation     theoretical modeling     operando techniques     reaction visualization    

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Numerical study of ignition mechanism of n-heptane direct injection compression-ignition engine

Xiaoping GUO, Zhanjie WANG,

Frontiers in Energy 2009, Volume 3, Issue 4,   Pages 432-439 doi: 10.1007/s11708-009-0050-9

Abstract: A detailed chemical dynamical mechanism of oxidation of n-heptane was implemented into kiva-3 code tostudy the ignition mechanism of a high-temperature, high-pressure, three-dimensional-space, transientreaction showing an obvious increase in the cell temperature was defined as ignition reaction and themechanism, while high-temperature ignition reaction, whose ignition reaction is c2h3o1-2=ch3co, followsthe decomposition mechanism.

Keywords： compression-ignition engine     ignition mechanism     elementary reaction     n-heptane    

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Catalytic combustion of volatile organic compounds using perovskite oxides catalysts—a review

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 11,   Pages 1649-1676 doi: 10.1007/s11705-023-2324-x

Abstract: review first introduces the hazards of VOCs, their treatment technologies, and summarizes the treatment mechanism

Keywords： perovskite oxides     volatile organic compounds     catalytic combustion     reaction mechanism    

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Secondary aerosol formation in winter haze over the Beijing-Tianjin-Hebei Region, China

Dongjie Shang, Jianfei Peng, Song Guo, Zhijun Wu, Min Hu

Frontiers of Environmental Science & Engineering 2021, Volume 15, Issue 2, doi: 10.1007/s11783-020-1326-x

Abstract: formation mechanisms have been investigated, and advances have been made about the mechanisms of gas phase reaction

Keywords： Secondary aerosol formation     Regional haze     Photochemical reaction     Aqueous reaction     Chemical mechanism    

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Kinetics and mechanism of nitrobenzene degradation by hydroxyl radicals-based ozonation process enhanced

Weizhou Jiao, Shengjuan Shao, Peizhen Yang, Kechang Gao, Youzhi Liu

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 5,   Pages 1197-1205 doi: 10.1007/s11705-020-1998-6

Abstract: This study investigated the indirect oxidation of nitrobenzene (NB) by hydroxyl radicals (·OH) in a rotating packed bed (RPB) using competitive kinetics method with -nitrochlorobenzene as a reference compound. The rate constants of NB with ·OH are calculated to be between (1.465±0.113) × 10 L/(mol·s) and (2.497±0.192) × 10 L/(mol·s). The experimental data are fitted by the modified Arrhenius equation, where the activation energy is 4877.74 J/mol, the order of NB concentration, rotation speed, and initial pH is 0.2425, 0.1400 and 0.0167, respectively. The ozonation process of NB could be enhanced by RPB, which is especially effective for highly concentrated NB-containing wastewater under alkaline conditions. The high gravity technology can accelerate ozone mass transfer and self-decomposition of ozone to produce more ·OH, resulting in an increase in the indirect oxidation rate of NB by ·OH and consequently effective degradation of NB in wastewater.

Keywords： high gravity technology     hydroxyl radicals     nitrobenzene     reaction kinetics    

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Characterization of chlorine dioxide as disinfectant for the removal of low concentration microcystins

Mingsong WU, Junli HUANG, Yuling ZHANG, Shijie YOU, Shaofeng LI, Zhilin RAN, Yu TIAN

Frontiers of Environmental Science & Engineering 2012, Volume 6, Issue 1,   Pages 75-81 doi: 10.1007/s11783-011-0331-5

Abstract: The effects of reaction factors on chlorine dioxide (ClO ) for removal of low-concentration Microcystin-LR, Microcystin-RR, and Microcystin-YR in water as well as the reaction mechanisms was investigated byThe degradation efficiency was shown positively correlated to the concentration of ClO and reactiontime; while the effect of reaction temperature and pH is slight.The kinetic constants and activation energies of the reaction of MC-LR, MC-RR, and MC-YR with ClO are

Keywords： disinfection     chlorine dioxide     microcystins     reaction mechanism    

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Superior performance in visible-light-driven hydrogen evolution reaction of three-dimensionally ordered

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 6,   Pages 1561-1571 doi: 10.1007/s11705-021-2089-z

Abstract: capacity and high charge carrier separation efficiency for visible light photocatalytic hydrogen evolution reaction

Keywords： sub>xCd1–xS     visible light     hydrogen production     promotion mechanism    

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Reaction mechanism of arsenic capture by a calcium-based sorbent during the combustion of arsenic-contaminated

Mei Lei, Ziping Dong, Ying Jiang, Philip Longhurst, Xiaoming Wan, Guangdong Zhou

Frontiers of Environmental Science & Engineering 2019, Volume 13, Issue 2, doi: 10.1007/s11783-019-1110-y

Abstract:

Pilot-scale combustion is required to treat arsenic-enriched biomass in China.

CaO addition to arsenic-enriched biomass reduces arsenic emission.

CaO captures arsenic via chemical adsorption to form Ca3(AsO4)2.

Keywords： Arsenic contamination     Phytoremediation     Emission control     Calcium-based sorbent     Biomass disposal     Pilot-scale combustion    

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A combined experimental and theoretical study of micronized coal reburning

Hai ZHANG, Jiaxun LIU, Jun SHEN, Xiumin JIANG

Frontiers in Energy 2013, Volume 7, Issue 1,   Pages 119-126 doi: 10.1007/s11708-012-0226-6

Abstract: Micronized coal reburning (MCR) can not only reduce carbon in fly ash but also reduce NO emissions as compared to the conventional coal reburning. However, it has two major kinetic barriers in minimizing NO emission. The first is the conversion of NO into hydrogen cyanide (HCN) by conjunction with various hydrocarbon fragments. The second is the oxidation of HCN by association with oxygen-containing groups. To elucidate the advantages of MCR, a combination of Diffuse Reflection Fourier Transform Infrared (FTIR) experimental studies with Density Functional Theory (DFT) theoretical calculations is conducted in terms of the second kinetic barrier. FTIR studies based on Chinese Tiefa coal show that there are five hydroxide groups such as OH-π, OH-N, OH-OR , self-associated OH and free OH. The hydroxide groups increase as the mean particle size decreases expect for free OH. DFT calculations at the B3LYP/6-31 G(d) level indicate that HCN can be oxidized by hydroxide groups in three paths, HCN+OH→HOCN+H (path 1), HCN+OH→HNCO+H (path 2), and HCN+OH→CN+H O (path 3). The rate limiting steps for path 1, path 2 and path 3 are IM2→P1+H (170.66 kJ/mol activated energy), IM1→IM3 (231.04 kJ/mol activated energy), and R1+OH→P3+H O (97.14 kJ/mol activated energy), respectively. The present study of MCR will provide insight into its lower NO emission and guidance for further studies.

Keywords： radicals     Fourier transform infrared spectroscopy (FTIR)     density functional theory (DFT)     homogeneous reactionmechanism     NOx    

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Title Author Date Type Operation

Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

Journal Article

Impact and inhibitory mechanism of phenolic compounds on the formation of toxic Maillard reaction products

Jing TENG, Xiaoqian HU, Ningping TAO, Mingfu WANG

Journal Article

Alkali-silica Reaction and Alkali-carbonate Reaction

Tang Mingshu

Journal Article

Solid-state NMR for metal-containing zeolites: From active sites to reaction mechanism

Xingling Zhao, Jun Xu, Feng Deng

Journal Article

Extraction of hydrogen chloride by a coupled reaction-solvent extraction process

Yunzhao Li,Xingfu Song,Guilan Chen,Shuying Sun,Yanxia Xu,Jianguo Yu

Journal Article

Experimental research on catalysts and their catalytic mechanism for hydrogen production by gasification

PEI Aixia, GUO Liejin, JIN Hui

Journal Article

Operando modeling and measurements: Powerful tools for revealing the mechanism of alkali carbonate-based

Journal Article

Numerical study of ignition mechanism of n-heptane direct injection compression-ignition engine

Xiaoping GUO, Zhanjie WANG,

Journal Article

Catalytic combustion of volatile organic compounds using perovskite oxides catalysts—a review

Journal Article

Secondary aerosol formation in winter haze over the Beijing-Tianjin-Hebei Region, China

Dongjie Shang, Jianfei Peng, Song Guo, Zhijun Wu, Min Hu

Journal Article

Kinetics and mechanism of nitrobenzene degradation by hydroxyl radicals-based ozonation process enhanced

Weizhou Jiao, Shengjuan Shao, Peizhen Yang, Kechang Gao, Youzhi Liu

Journal Article

Characterization of chlorine dioxide as disinfectant for the removal of low concentration microcystins

Mingsong WU, Junli HUANG, Yuling ZHANG, Shijie YOU, Shaofeng LI, Zhilin RAN, Yu TIAN

Journal Article

Superior performance in visible-light-driven hydrogen evolution reaction of three-dimensionally ordered

Journal Article

Reaction mechanism of arsenic capture by a calcium-based sorbent during the combustion of arsenic-contaminated

Mei Lei, Ziping Dong, Ying Jiang, Philip Longhurst, Xiaoming Wan, Guangdong Zhou

Journal Article

A combined experimental and theoretical study of micronized coal reburning

Hai ZHANG, Jiaxun LIU, Jun SHEN, Xiumin JIANG

Journal Article