Experimental and Theoretical Investigation of the Pyrolysis of Furfural

被引：26

作者：

Li, Yamin ^{[1
]}

Meng, Qinghui ^{[1
]}

Wang, Jinglan ^{[2
]}

Zhang, Yan ^{[1
]}

Cao, Chuangchuang ^{[1
]}

Cheng, Zhanjun ^{[2
]}

Yang, Jiuzhong ^{[1
]}

Liu, Fuyi ^{[1
]}

Zhang, Lidong ^{[1
]}

Pan, Yang ^{[1
]}

机构：

[1] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China

[2] Tianjin Univ, Sch Environm Sci & Engn, Tianjin 300072, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2019年 / 123卷 / 01期

关键词：

PHOTOIONIZATION CROSS-SECTIONS; MECHANISM; FURAN; 2-METHYLFURAN; 2,5-DIMETHYLFURAN; DECOMPOSITION;

D O I：

10.1021/acs.jpca.8b06261

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The thermal decomposition of furfural is investigated in a flow tube reactor at 30 Torr by synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) at temperatures from 1023 to 1273 K. Over 20 kinds of pyrolysis products, including short-lived radicals, stable oxygen containing compounds, and hydrocarbons, are identified from the scanning photoionization efficiency (PIE) spectra. Vinylketene (CH2=CH-CH=C=O), which has been shown to be an important primary product, is also directly observed. The possible steps of hydrogen atom addition and hydrogen atom abstraction in the thermal decomposition of furfural are studied by theoretical calculations at the CBS-QB3 level. In addition to unimolecular decomposition, hydrogen atom addition followed by ring opening can lead to the production of vinylketene.

引用

页码：103 / 110

页数：8

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