摘要
化石燃料为当今世界提供了超过80%的能源,其大量消耗所引起的能源危机和环境问题已成为全球关注的热点问题.解决此问题的关键在于深入理解燃烧和能源转化过程中的化学反应机理,进而从本质上探寻提高燃烧效率与减少污染物排放的方法.本文回顾了本课题组近年来发展的多种基于同步辐射光电离质谱技术的新方法和新装置,及其在燃烧与能源研究中的应用,并对未来可以发展的新方法和新方向进行了展望.
Combustion of fossil fuels provides more than 80% of the global energy supply nowadays. However, the rapid consumption of fossil fuels has raised great public concerns on energy sustainability and environmental security. Since chemical reactions play the crucial role in combustion and other thermal chemical processes in energy conversion, prior understanding of the chemical reaction mechanisms in these processes is essential for exploring new techniques to improve combustion efficiency and reduce pollutant emissions. This paper reviews our recent efforts in the development of new methods and instruments with synchrotron vacuum ultraviolet(VUV) photoioni- zation mass spectrometry and their applications in combustion and energy research, and presents perspectives of novel methods and applications in the near future.
引文
1 Qi F.Combustion chemistry probed by synchrotron VUV photoionization mass spectrometry.P Combust Inst,2013,34:33–63
2 齐飞.同步辐射真空紫外单光子电离技术及其应用.中国科学技术大学学报,2007,37:414–425
3 Wilkinso PG,Byram ET.Rare gas light sources for vacuum ultraviolet.Appl Optics,1965,4:581–588
4 Huffman RE,Larrabee JC,Chambers D.New excitation unit for rare gas continua in vacuum ultraviolet.Appl Optics,1965,4:1145–1150
5 Aebersold R,Mann M.Mass spectrometry-based proteomics.Nature,2003,422:198–207
6 Pico Y,Font G,Ruiz MJ,Fernandez M.Control of pesticide residues by liquid chromatography-mass spectrometry to ensure food safety.Mass Spectrom Rev,2006,25:917–960
7 吴庆浩,花磊,侯可勇,崔华鹏.新型单光子电离和光电子电离复合电离源的研究及应用.分析化学,2011,39:1465–1469
8 Pallix JB,Schuhle U,Becker CH,Huestis DL.Advantages of single-photon ionization over multiphoton ionization for mass-spectrometric surface-analysis of bulk organic polymers.Anal Chem,1989,61:805–811
9 Vanbramer SE,Johnston MV.10.5-eV photoionization mass-spectrometry of aliphatic-compounds.J Am Soc Mass Spectrom,1990,1:419 –426
10 Kornienko O,Ada ET,Tinka J,Wijesundara MBJ,Hanley L.Organic surface analysis by two-laser ion trap mass spectrometry.2.Improved desorption/photoionization configuration.Anal Chem,1998,70:1208–1213
11 Cao L,Muhlberger F,Adam T,Streibel T,Wang HZ,Kettrup A,Zimmermann R.Resonance-enhanced multiphoton ionization and VUV-single photon ionization as soft and selective laser ionization methods for on-line time-of-flight mass spectrometry:Investigation of the pyrolysis of typical organic contaminants in the steel recycling process.Anal Chem,2003,75:5639–5645
12 Li YY,Qi F.Recent applications of synchrotron VUV photoionization mass spectrometry:Insight into combustion chemistry.Accounts Chem Res,2010,43:68–78
13 Brezinsky K.The high-temperature oxidation of aromatic-hydrocarbons.Prog Energ Combust,1986,12:1–24
14 Shukla B,Susa A,Miyoshi A,Koshi M.In situ direct sampling mass spectrometric study on formation of polycyclic aromatic hydrocarbons in toluene pyrolysis.J Phys Chem A,2007,111:8308–8324
15 Zhang YJ,Cai JH,Zhao L,Yang JZ,Jin HF,Cheng ZJ,Li YY,Zhang LD,Qi F.An experimental and kinetic modeling study of three butene isomers pyrolysis at low pressure.Combust Flame,2012,159:905–917
16 Zhang TC,Zhang LD,Hong X,Zhang KW,Qi F,Law CK,Ye TH,Zhao PH,Chen YL.An experimental and theoretical study of toluene pyrolysis with tunable synchrotron VUV photoionization and molecular-beam mass spectrometry.Combust Flame,2009,156:2071–2083
17 Cai JH,Zhang LD,Yang JZ,Li YY,Zhao L,Qi F.Experimental and kinetic modeling study of tert-butanol combustion at low pressure.Energy,2012,43:94–102
18 Wang Z,Cheng Z,Yuan W,Cai J,Zhang L,Zhang F,Qi F,Wang J.An experimental and kinetic modeling study of cyclohexane pyr olysis at low pressure.Combust Flame,2012,159:2243–2253
19 Li YY,Zhang LD,Wang ZD,Ye LL,Cai JH,Cheng ZJ,Qi F.Experimental and kinetic modeling study of tetralin pyrolysis at low pressure.P Combust Inst,2013,34:1739–1748
20 Lucassen A,Wang ZD,Zhang LD,Zhang F,Yuan WH,Wang YZ,Qi F,Kohse-Hoinghaus K.An experimental and theoretical study of pyrrolidine pyrolysis at low pressure.P Combust Inst,2013,34:641–648
21 Li YY,Zhang LD,Wang ZD,Ye LL,Cai JH,Cheng ZJ,Qi F.Experimental and kinetic modeling study of tetralin pyrolysis at low pressure.P Combust Inst,2013,34:1739–1748
22 Yang JZ,Zhao L,Cai JH,Qi F,Li YY.A photoionization mass spectrometric and kinetic modeling investigation on low-pressure pyrolysis of benzene.Chin J Chem Phys,2013,26:245–251
23 Yuan T,Zhang LD,Zhou ZY,Xie MF,Ye LL,Qi F.Pyrolysis of n-heptane:Experimental and theoretical study.J Phys Chem A,2011,115:1593–1601
24 Wang ZD,Cheng ZJ,Yuan WH,Cai JH,Zhang LD,Zhang F,Qi F,Wang J.An experimental and kinetic modeling study of cyclohexan e pyrolysis at low pressure.Combust Flame,2012,159:2243–2253
25 Cai JH,Yuan WH,Ye LL,Cheng ZJ,Wang YZ,Zhang LD,Zhang F,Li YY,Qi F.Experimental and kinetic modeling study of 2-butanol pyrolysis and combustion.Combust Flame,2013,160:1939–1957
26 Cai JH,Zhang LD,Zhang F,Wang ZD,Cheng ZJ,Yuan WH,Qi F.A comprehensive experimental and kinetic modeling study of n-butanol pyrolysis and combustion.Energy Fuels,2012,26:5550–5568
27 Battin-Leclerc F,Herbinet O,Glaude PA,Fournet R,Zhou ZY,Deng LL,Guo HJ,Xie MF,Qi F.Experimental confirmation of the low-temperature oxidation scheme of alkanes.Angew Chem Int Ed,2010,49:3169–3172
28 Herbinet O,Battin-Leclerc F,Bax S,Le Gall H,Glaude PA,Fournet R,Zhou ZY,Deng LL,Guo HJ,Xie MF,Qi F.Detailed product analysis during the low temperature oxidation of n-butane.Phys Chem Chem Phys,2011,13:296–308
29 Liu F,He X,Ma X,Zhang Q,Thomson MJ,Guo H,Smallwood GJ,Shuai S,Wang J.An experimental and numerical study of the effe cts of dimethyl ether addition to fuel on polycyclic aromatic hydrocarbon and soot formation in laminar coflow ethylene/air diffusion flames.Combust Flame,2011,158:547–563
30 Joo HI,Gulder OL.Soot formation and temperature field structure in co-flow laminar methane-air diffusion flames at pressures from 10 to 60 atm.P Combust Inst,2009,32:769–775
31 McEnally CS,Ciuparu DM,Pfefferle LD.Experimental study of fuel decomposition and hydrocarbon growth processes for practica l fuel components:Heptanes.Combust Flame,2003,134:339–353
32 McEnally CS,Pfefferle LD.Experimental study of fuel decomposition and hydrocarbon growth processes for cyclohexane and related compounds in nonpremixed flames.Combust Flame,2004,136:155–167
33 Jin HF,Wang YZ,Zhang KW,Guo HS,Qi F.An experimental study on the formation of polycyclic aromatic hydr ocarbons in laminar coflow non-premixed methane/air flames doped with four isomeric butanols.P Combust Inst,2013,34:779–786
34 Cuoci A,Frassoldati A,Faravelli T,Jin HF,Wang YZ,Zhang KW,Glarborg P,Qi F.Experimental and detailed kinetic modeling study of PAH formation in laminar co-flow methane diffusion flames.P Combust Inst,2013,34:1811–1818
35 Cuoci A,Frassoldati A,Faravelli T,Ranzi E.A computational tool for the detailed kinetic modeling of laminar flames:Appli cation to C2H4/CH4coflow flames.Combust Flame,2013,160:870–886
36 Cool TA,McIlroy A,Qi F,Westmoreland PR,Poisson L,Peterka DS,Ahmed M.Photoionization mass spectrometer for studies of f lame chemistry with a synchrotron light source.Rev Sci Instrum,2005,76:094102
37 Qi F,Yang R,Yang B,Huang CQ,Wei LX,Wang J,Sheng LS,Zhang YW.Isomeric identification of polycyclic aromatic hydrocarbons formed in combustion with tunable vacuum ultraviolet photoionization.Rev Sci Instrum,2006,77:084101
38 Zhou ZY,Wang Y,Tang XF,Wu WH,Qi F.A new apparatus for study of pressure-dependent laminar premixed flames with vacuum ultraviolet photoionization mass spectrometry.Rev Sci Instrum,2013,84:014101
39 Taatjes CA,Hansen N,McIlroy A,Miller JA,Senosiain JP,Klippenstein SJ,Qi F,Sheng LS,Zhang YW,Cool TA,Wang J,Westmoreland PR,Law ME,Kasper T,Kohse-Hoinghaus K.Enols are common intermediates in hydrocarbon oxidation.Science,2005,308:1887–1889
40 Yang B,Osswald P,Li YY,Wang J,Wei LX,Tian ZY,Qi F,Kohse-Hoinghaus K.Identification of combustion intermediates in isomeric fuel-rich premixed butanol-oxygen flames at low pressure.Combust Flame,2007,148:198–209
41 Li YY,Zhang LD,Tian ZY,Yuan T,Zhang KW,Yang B,Qi F.Investigation of the rich premixed laminar acetylene/oxygen/argon flame:Comprehensive flame structure and special concerns of polyynes.P Combust Inst,2009,32:1293–1300
42 Li YY,Zhang LD,Tian ZY,Yuan T,Wang J,Yang B,Qi F.Experimental study of a fuel-rich premixed toluene flame at low pressure.Energy Fuel,2009,23:1473–1485
43 Li YY,Zhang LD,Yuan T,Zhang KW,Yang JZ,Yang B,Qi F,Law CK.Investigation on fuel-rich premixed flames of monocyclic aromatic hydrocarbons:Part I.Intermediate identification and mass spectrometric analysis.Combust Flame,2010,157:143–154
44 Jia LY,Weng JJ,Wang Y,Sun SB,Zhou ZY,Qi F.Online analysis of volatile products from bituminous coal pyrolysis with sync hrotron vacuum ultraviolet photoionization mass spectrometry.Energ Fuel,2013,27:694–701
45 Jia LY,Weng JJ,Zhou ZY,Qi F,Guo WY,Zhao LM,Chen J.Note:Laser-induced acoustic desorption/synchrotron vacuum ultraviolet photoionization mass spectrometry for analysis of fragile compounds and heavy oils.Rev Sci Instrum,2012,83:026105
46 Chen J,Jia LY,Zhao LM,Lu XQ,Guo WY,Weng JJ,Qi F.Analysis of petroleum aromatics by laser-induced acoustic desorption/tunable synchrotron vacuum ultraviolet photoionization mass spectrometry.Energy Fuels,2013,27:2010–2017
47 Dufour A,Weng JJ,Jia LY,Tang XF,Sirjean B,Fournet R,Le Gall H,Brosse N,Billaud F,Mauviel G,Qi F.Revealing the chemistry of biomass pyrolysis by means of tunable synchrotron photoionisation-mass spectrometry.Rsc Adv,2013,3:4786–4792
48 Weng JJ,Jia LY,Sun SB,Wang Y,Tang XF,Zhou ZY,Qi F.On-line product analysis of pine wood pyrolysis using synchrotron vacuum ultraviolet photoionization mass spectrometry.Anal Bioanal Chem,2013,405:7097–7105
49 Weng JJ,Jia LY,Wang Y,Sun SB,Tang XF,Zhou ZY,Kohse-Hoinghaus K,Qi F.Pyrolysis study of poplar biomass by tunable synchrotron vacuum ultraviolet photoionization mass spectrometry.P Combust Inst,2013,34:2347–2354
50 Golovlev VV,Allman SL,Garrett WR,Chen CH.Laser-induced acoustic desorption of electrons and ions.Appl Phys Lett,1997,71:852 –854
51 Lindner B.On the desorption of electrosprayed organic-compounds from supporting metal foils by laser-induced pressure waves.Int J Mass Spectrom,1991,103:203–218
52 Shea RC,Petzold CJ,Liu JA,Kenttamaa HI.Experimental investigations of the internal energy of molecules evaporated via laser-induced acoustic desorption into a Fourier transform ion cyclotron resonance mass spectrometer.Anal Chem,2007,79:1825–1832
53 Chernushevich IV,Loboda AV,Thomson BA.An introduction to quadrupole-time-of-flight mass spectrometry.J Mass Spectrom,2001,36:849 –865
54 Rodgers RP,McKenna AM.Petroleum analysis.Anal Chem,2011,83:4665–4687
55 Cho YJ,Na JG,Nho NS,Kim S,Kim S.Application of saturates,aromatics,resins,and asphaltenes crude oil fractionation for detailed chemical characterization of heavy crude oils by Fourier transform ion cyclotron resonance mass spectrometry equipped with at mospheric pressure photoionization.Energy Fuels,2012,26:2558–2565
56 向柠,王剑,惠友权.质谱技术在石油类复杂物质表征中的应用及研究进展.化学工业与工程技术,2010,31:25–30
57 Qian K,Mennito AS,Edwards KE,Ferrughelli DT.Observation of vanadyl porphyrins and sulfur-containing vanadyl porphyrins in a petroleum asphaltene by atmospheric pressure photonionization Fourier transform ion cyclotron resonance mass spectrometry.Rapid Commun Mass Spectrom,2008,22:2153–2160
58 Purcell JM,Hendrickson CL,Rodgers RP,Marshall AG.Atmospheric pressure photoionization Fourier transform ion cyclotron res onance mass spectrometry for complex mixture analysis.Anal Chem,2006,78:5906–5912
59 Russell DH,Becker C,Qian KN.Molecular weight distributions of asphaltenes and deasphaltened oils studied by laser desorpti on ionization and ion mobility mass spectrometry.Anal Chem,2008,80:8592–8597
60 Perez J,Petzold CJ,Watkins MA,Vaughn WE,Kenttamaa HI.Laser desorption in transmission geometry inside a Fourier-transform ion cyclotron resonance mass spectrometer.J Am Soc Mass Spectrom,1999,10:1105–1110
61 Afeefy HY,Liebman JF,Stein SE.Neutral thermochemical data.In:Linstrom PJ,Mallard WG.NIST Chemistry WebBook,NIST Standard Reference Database Number 69,2012
62 孙韶波,翁俊桀,贾良元,王毓,齐飞,周忠岳.真空紫外光电离质谱研究稻壳和稻秆的热解.质谱学报,2013,34:14–20