The decomposition of aromatic hydrocarbons during coal pyrolysis in hydrogen plasma: A density functional theory study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2012.09.006 ◽

2012 ◽

Vol 37 (23) ◽

pp. 18040-18049 ◽

Author(s):

Xiaoyuan Huang ◽

Dang-guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Hydrogen Plasma ◽

Coal Pyrolysis ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study on the decomposition of aliphatic hydrocarbons and cycloalkanes during coal pyrolysis in hydrogen plasma

Journal of Energy Chemistry ◽

10.1016/s2095-4956(15)60285-6 ◽

2015 ◽

Vol 24 (1) ◽

pp. 65-71 ◽

Author(s):

Xiaoyuan Huang ◽

Dangguo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Plasma ◽

Aliphatic Hydrocarbons ◽

Coal Pyrolysis ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study on the conversion of polycyclic aromatic hydrocarbons in hydrogen plasma

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2019.10.208 ◽

2020 ◽

Vol 45 (1) ◽

pp. 309-321 ◽

Author(s):

Lu Chen ◽

Dang-guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Hydrogen Plasma ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic

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Density functional theory study of CO formation through reactions of polycyclic aromatic hydrocarbons with atomic oxygen (O(3P))

Fuel ◽

10.1016/j.fuel.2018.12.047 ◽

2019 ◽

Vol 241 ◽

pp. 851-860 ◽

Author(s):

Özlem Yönder ◽

Christof Hättig

Keyword(s):

Density Functional Theory ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic

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Electronic and optical properties of families of polycyclic aromatic hydrocarbons: A systematic (time-dependent) density functional theory study

Chemical Physics ◽

10.1016/j.chemphys.2011.04.013 ◽

2011 ◽

Vol 384 (1-3) ◽

pp. 19-27 ◽

Author(s):

G. Malloci ◽

G. Cappellini ◽

G. Mulas ◽

A. Mattoni

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic ◽

Dependent Density

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Reaction pathways of hemicellulose and mechanism of biomass pyrolysis in hydrogen plasma: A density functional theory study

Renewable Energy ◽

10.1016/j.renene.2016.04.080 ◽

2016 ◽

Vol 96 ◽

pp. 490-497 ◽

Author(s):

Xiaoyuan Huang ◽

Dang-guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Plasma ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Biomass Pyrolysis ◽

Functional Theory

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FT-Raman, FT-IR and normal-mode analysis of carcinogenic polycyclic aromatic hydrocarbons. Part I?a density functional theory study of benzo(a)pyrene (BaP) and benzo(e)pyrene (BeP)

Journal of Raman Spectroscopy ◽

10.1002/1097-4555(200101)32:1<45::aid-jrs666>3.0.co;2-9 ◽

2001 ◽

Vol 32 (1) ◽

pp. 45-51 ◽

Author(s):

H.-P. Chiang ◽

B. Mou ◽

K. P. Li ◽

P. Chiang ◽

D. Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic ◽

Ft Ir ◽

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Pathways of liquefied petroleum gas pyrolysis in hydrogen plasma: A density functional theory study

Journal of Energy Chemistry ◽

10.1016/s2095-4956(13)60063-7 ◽

2013 ◽

Vol 22 (3) ◽

pp. 484-492 ◽

Author(s):

Xiaoyuan Huang ◽

Jiaming Gu ◽

Dang-Guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Plasma ◽

Density Functional Theory Study ◽

Liquefied Petroleum Gas ◽

Functional Theory

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UV-vis spectra of singlet state cationic polycyclic aromatic hydrocarbons: Time-dependent density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.4862902 ◽

2014 ◽

Vol 140 (4) ◽

pp. 044324 ◽

Author(s):

Justyna Dominikowska ◽

Malgorzata Domagala ◽

Marcin Palusiak

Keyword(s):

Density Functional Theory ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Singlet State ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic ◽

Dependent Density

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Reaction pathways of β-d-glucopyranose pyrolysis to syngas in hydrogen plasma: A density functional theory study

Bioresource Technology ◽

10.1016/j.biortech.2013.06.019 ◽

2013 ◽

Vol 143 ◽

pp. 447-454 ◽

Author(s):

Xiaoyuan Huang ◽

Dang-guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Plasma ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Functional Theory

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Deciphering the transformation mechanism of substituted polycyclic aromatic hydrocarbons on Al(III)-montmorillonite: An experimental and density functional theory study

The Science of The Total Environment ◽

10.1016/j.scitotenv.2021.147493 ◽

2021 ◽

pp. 147493

Author(s):

Jinsong Liu ◽

Chi Zhang ◽

Song Zhao ◽

Kecheng Zhu ◽

Jinbo Liu ◽

...

Keyword(s):

Density Functional Theory ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Density Functional Theory Study ◽

Transformation Mechanism ◽

Functional Theory ◽

Polycyclic Aromatic

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