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Experimental study of photooxidation products of ethylbenzene

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Journal of Environmental Sciences 2010年第10期22卷 1570-1575页

作者： Mingqiang Huang Weijun Zhang Liqing Hao Zhenya Wang Li Fang Ruihong Kong Xiaobin Shan Fuyi Liu liusi sheng Key Laboratory of Atmospheric Composition and Optical Radiation Anhui Institute of Optics & Fine Mechanics Chinese Academy of Sciences Hefei 230031 China. Laboratory of Environment Spectroscopy Anhui Institute of Optics & Fine Mechanics Chinese Academy of Sciences Hefei 230031 China Department of Environmentul Science and Engineering Xiamen University Tan Kah Kee College Zhangzhou 363105 China National Synchrotron Radiation Laboratory University of Science and Technology of China Hefei 230029 China

Smog chamber experiments were performed to investigate the composition of products formed from photooxidation of aromatic hydrocarbon ethylbenzene. Vacuum ultraviolet photoionization mass spectrometer and aerosol time-of-flight mass spectrometer were used to measure the products in the gas and particle phases in real-time. Experimental results demonstrated that ethylphenol, methylglyoxal, phenol, benzaldehyde, and 2-ethylfurane were the predominant photooxidation products in both the gas and particle phases. However, there were some differences between detected gas phase products and those of particle phase, for example, 2-ethylfurane, ethylglyoxylic acid, nitroethylbenzene, 3,4-dioxopentanal and ethyl-nitrophenol were only existing in the particle-phase. The possible reaction mechanisms leading to these products were also discussed and proposed.

关键词： ethylbenzne secondary organic aerosol smog chamber desorption/ionization reaction mechanism

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不同介质环境样品的符合修正方法研究

核电子学与探测技术 2024年第3期44卷 542-548页

作者：顾先宝於国兵卞岍雨程李迅许丰张健军盛六四洪义麟中国科学技术大学合肥230027 安徽省辐射环境监督站合肥230071 中国科学技术大学附属第一医院合肥230001 哈尔滨工程大学哈尔滨150001

使用γ能谱测量放射性核素活度时,级联发射的γ射线会发生符合效应,影响测量结果。为了得到不同环境介质样品的符合修正因子,研究了简单级联发射模式的核素在不同介质中符合修正因子之间的关系,提出了利用水代替其他环境介质的符合修正... 详细信息

使用γ能谱测量放射性核素活度时,级联发射的γ射线会发生符合效应,影响测量结果。为了得到不同环境介质样品的符合修正因子,研究了简单级联发射模式的核素在不同介质中符合修正因子之间的关系,提出了利用水代替其他环境介质的符合修正因子计算方法。实验结果表明,使用该方法所得结果的最大偏差为2.8%。使用此方法不需要逐一制备不同介质标准源,它为多介质的辐射环境监测提供了一种简单的符合修正方法。

关键词：环境介质符合修正标准源

A VUV photoionization mass spectrometric study on the OH-initiated photooxidation of isoprene with synchrotron radiation

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Journal of Environmental Sciences 2012年第12期24卷 2075-2082页

作者： Gang Pan Changjin Hu Mingqiang Huang Zhenya Wang Yue Cheng Zhi Liu Weixiong Zhao Weijun Zhang Jun Chen Fuyi Liu Xiaobin Shan liusi sheng Key Laboratory of Atmospheric Composition and Optical Radiation Anhui Institute of Optics and Fine Mechanics Chinese Academy of Sciences Hefei 230031 China Laboratory of Enviromental Spectroscopy nhui Irritate of Optics and Fine Mechanics Chinese Academy of Sciences Hefei 230031 China Department of Environental Science and Engineer'in Xiamen University Tan Kah Kee College ~Zt~angzhou 3'631~05 China National Synchrotron Radiation Laboratory School of Nuclear Science and Technology University of Science and Technology of China Hefei 230029 China

The gas-phase organic compounds resulting from OH-initiated photooxidation of isoprene have been investigated on-line by VUV photoiortization mass spectrometry based on synchrotron radiation for the first time. The photoionization efficiency curves of the corresponding gaseous products as well as the chosen standards have been deduced by gating the interested peaks in the photoionization mass spectra while scanning the photon energy simultaneously, which permits the identification of the pivotal gaseous products of the photooxidation of isoprene, such as formaldehyde （10.84 eV）, formic acid （11.38 eV）, acetone （9.68 eV）, glyoxal （9.84 eV）, acetic acid （10.75 eV）, methacrolein （9.91 eV）, and methyl vinyl ketone （9.66 eV）. Proposed reaction mechanisms leading to the formation of these key products were discussed, which were completely consistent with the previous works of different groups. The capability of synchrotron radiation photoionization mass spectrometry to directly identify the chemical composition of the gaseous products in a simulation chamber has been demonstrated, and its potential application in related studies of atmospheric oxidation of ambient volatile organic compounds is anticipated.

关键词： isoprene photooxidation smog chamber VUV photoionization mass spectrometry synchrotron radiation

VUV threshold photoelectron spectroscopy of the C_2H_3Cl molecule

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Chinese Science Bulletin 1998年第1期43卷 36-39页

作者： sheng liusi, QI Fei, GAO Hui, YU Shuqin and ZHANG Yunwu National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, China University of Science and Technology of China National Synchrotron Radiation Laboratory Hefei China

The threshold photoelectron spectrum of the C\-2H\-3Cl molecule is studied by using synchrotron radiation light source and supersonic molecular beam. The vertical ionization potentials of different orbital electrons and some vibrational structures are obtained. The observed Rydberg autoionization peaks are assigned by A 2A 1 state of C\-2H\-3Cl +.

关键词： threshold photoelectron spectroscopy synchrotron radiation C\-2H\-3Cl.

Electronic Structure of AIB2-type U-Si Binary Intermetallic Compounds by Hybrid Density Functional Calculations

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Journal of Physical Science and Application 2016年第6期6卷 12-19页

作者： Yuting Zhang Pengchuang Liu Yajiang Xian Xin Wang liusi sheng Pengcheng Zhang Science and Technology on Surface Physics and Chemistry Laboratory Jiangyou 621908 Sichuan China School of Nuclear Science and Technology National Synchrotron Radiation Laboratory University of Science and Technology ofChina Hefei 230029 Anhui China Institute of Materials China Academy of Engineering Physics Jiangyou 621908 Sichuan China

In this paper the electronic structure of A1B2-type USi2 has been explored using DFT, DFT＋U and hybrid functional （HSE） methods. It reveals that c/a has great effect on the electronic structure, particularly theforbitals, and there exists strong hybridization between the Si-p and U-d orbitals in A1B2-type USi2. These calculations uncover that there exists similarities on the crystal structure and the electronic structure between AIB2-type USi2 and UaSis. Present calculations provide a further insight on the U3Si5, a heavy-fermion system.

关键词： Electronic structure heavy-fermion system U-Si binary system.

星际尘埃HC_(3-x)NC_x(x=0～3)与HC_(5-x)NC_x(x=0～5)分子的DFT研究

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化学学报 2002年第11期60卷 1981-1985页

作者：王进张允武盛六四中国科学技术大学国家同步辐射实验室合肥230026

运用密度泛函理论 (DFT)中的B3LYP方法 ,计算了星际尘埃HC3 N ,HC5N分子及它们的同分异构体的分子结构、相对稳定性、偶极矩、转动常数等 .对于HC3 -xNCx(x =0～ 3) ,HC3 N分子比其它的异构体要稳定 .将计算所得的HC3 N ,HC2 NC的转动常... 详细信息

运用密度泛函理论 (DFT)中的B3LYP方法 ,计算了星际尘埃HC3 N ,HC5N分子及它们的同分异构体的分子结构、相对稳定性、偶极矩、转动常数等 .对于HC3 -xNCx(x =0～ 3) ,HC3 N分子比其它的异构体要稳定 .将计算所得的HC3 N ,HC2 NC的转动常数B0 与实际的观测值B0 相比较 ,发现两者能较好地吻合 .比较HC5-xNCx(x =0～ 5 )的各同分异构体的总能量 ,发现HC5N的相对稳定性最高 ,但它的偶极矩相对较低 .将HC5N的转动常数B0 的理论计算值与实际观测值进行比较 ,其相对标准误差仅 0 .6 % .

关键词：星际尘埃 HC3-xNCx HC5-xNCx DFT 多丙炔腈密度泛函理论转动常数偶极矩分子结构异构体从头算星子化学

Photoionization and fragmentation of ethanol dimer under the tunable synchrotron VUV radiation

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Photoionization and fragmentation of ethanol dimer under the...

Synchrotron radiation photoionization mass spectrometer for kinetics of free radical reaction study

第十三届全国化学动力学会议

作者： Weixing Li Yongjun Hu Jiwen Guan Fuyi Liu Xiaobin Shan liusi sheng MOE Key laboratory of Laser Life Science & Institute of Laser Life Science College of Biophotonics South China Normal University National Synchrotron Radiation Laboratory University of Science and Technology of China

＜正＞Understanding charge-transfer and carbon-carbon bond cleavage processes at the atomic level of organic systems is of the utmost importance for the life Science. Site-selective ionization of ethanol dimer and the... 详细信息

关键词： Clusters VUV Photoionization Reaction channels Proton transfer

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Synchrotron radiation photoionization mass spectrometer for ...

Dissociation dynamics of state-selected molecular ions:application of threshold photoelectron-photoion coincidence velocity imaging

第十三届全国化学动力学会议

作者： Yanlin Song Genbai Chu Jun Chen Xiaobin Shan Fuyi Liu liusi sheng National Synchrotron Radiation Laboratory School of Nuclear Science and Technology University of Science and Technology of China

＜正＞A multiplexed time- and photon-energy resolved photoionization mass spectrometer has been constructed for the study on the gas phase free radical chemical kinetics. The radical-molecule chemical reactions in a f...

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Dissociation dynamics of state-selected molecular ions:appli...