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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： hydroxyl radicals     Fourier transform infrared spectroscopy (FTIR)     density functional theory (DFT)     homogeneousreaction mechanism     NOx    

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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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Effect of a less permeable stronger soil layer on the stability of non-homogeneous unsaturated slopes

Nabarun DEY, Aniruddha SENGUPTA

Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 6,   Pages 1462-1475 doi: 10.1007/s11709-020-0674-8

Abstract: It is observed that a less permeable, stronger silty sand layer in an otherwise homogeneous sandy soilNo shear band is found to initiate in a homogeneous sandy soil slope, whereas for a non-homogeneous slopeA discontinuity of the shear zone is also observed for the case of a non-homogeneous soil slope.The factor of safety of a non-homogeneous, unsaturated soil slope decreases because of the less permeable

Keywords： non-homogeneous slope     stronger soil layer     factor of safety     centrifuge model test     unsaturated soils    

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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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Control of homogeneous charge compression ignition combustion in a two-cylinder gasoline direct injection

WANG Zhi, WANG Jianxin, SHUAI Shijin, MA Qingjun, TIAN Guohong

Frontiers in Energy 2007, Volume 1, Issue 3,   Pages 311-315 doi: 10.1007/s11708-007-0045-3

Abstract: Homogeneous charge compression ignition (HCCI) has challenges in ignition timing control, combustion

Keywords： Homogeneous     control     combustion     consumption     extension    

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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, transientturbulent, non-homogeneous, mono-component fuel in the engine.mechanism, 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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Liquid discharge plasma for fast biomass liquefaction at mild conditions: The effects of homogeneous

Sen Wang, Shiyun Liu, Danhua Mei, Rusen Zhou, Congcong Jiang, Xianhui Zhang, Zhi Fang, Kostya (Ken) Ostrikov

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 5,   Pages 763-771 doi: 10.1007/s11705-019-1896-y

Abstract: Different homogeneous catalysts are usually required for plasma-enabled biomass liquefaction to achieve

Keywords： discharge plasma     biomass liquefaction     catalyst     homogeneous catalysts    

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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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Effects of compression ratio on the combustion characteristics of a homogeneous charge compression ignition

SONG Ruizhi, ZHOU Longbao, LIU Shenghua, LI Wei, HU Tiegang

Frontiers in Energy 2007, Volume 1, Issue 4,   Pages 463-467 doi: 10.1007/s11708-007-0068-0

Abstract: The effects of homogeneous charge compression ignition (HCCI) engine compression ratio on its combustion

Keywords： homogeneous     cylinder     combustion     compression     dimethyl    

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Title Author Date Type Operation

A combined experimental and theoretical study of micronized coal reburning

Hai ZHANG, Jiaxun LIU, Jun SHEN, Xiumin JIANG

Journal Article

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

Effect of a less permeable stronger soil layer on the stability of non-homogeneous unsaturated slopes

Nabarun DEY, Aniruddha SENGUPTA

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

Control of homogeneous charge compression ignition combustion in a two-cylinder gasoline direct injection

WANG Zhi, WANG Jianxin, SHUAI Shijin, MA Qingjun, TIAN Guohong

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

Liquid discharge plasma for fast biomass liquefaction at mild conditions: The effects of homogeneous

Sen Wang, Shiyun Liu, Danhua Mei, Rusen Zhou, Congcong Jiang, Xianhui Zhang, Zhi Fang, Kostya (Ken) Ostrikov

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

Effects of compression ratio on the combustion characteristics of a homogeneous charge compression ignition

SONG Ruizhi, ZHOU Longbao, LIU Shenghua, LI Wei, HU Tiegang

Journal Article