Analysis of the chemical features of particles generated from ethylene and ethylene/2,5 dimethyl furan flames

Abstract Carbon particulate matter formed in fuel-rich atmospheric pressure premixed flames of ethylene and ethylene doped with 2,5 dimethyl furan (DMF) (20%) was analyzed in order to investigate the effect of fuel-borne oxygen on soot nanostructure and chemical functionalities. Particles were thermophoretically sampled on quartz plates and analyzed by techniques sensitive to the particle internal structure, namely FTIR, Raman and UV–vis spectroscopy. In nearly identical temperature, equivalence ratio and residence time conditions, the concentration of particulate generated in the biofuel-doped flame was found to be far less of the concentration of ethylene flame particulate. The similarity of UV–vis and Raman spectra showed that DMF addition to ethylene did not significantly change the aromatization process of carbon particulate in the flame. Complementary information on the functional groups located at the edge of the polyaromatic system was probed by FTIR analysis. FTIR spectra showed to be very similar regarding the carbon network in particles produced in both flames. However, the infrared spectrum of the particles produced in the ethylene/DMF flame presented less intense peaks of aromatic hydrogen (900–700 cm −1 ) and a higher absorption in the 1300–1100 cm −1 wavenumber range. These changes in the infrared spectra were attributed to a higher amount of oxygen atoms that substitute hydrogen atoms at the edges of aromatic clusters of the ethylene/DMF soot particles. Oxygen content was estimated to be larger by few percentages in particles from ethylene/DMF with respect to particles from pure ethylene. This could be the cause for the enhanced reactivity of soot particles generally found for biofuel-derived soot.

[1]  John Robertson,et al.  Resonant Raman spectroscopy of disordered, amorphous, and diamondlike carbon , 2001 .

[2]  J. Rouzaud,et al.  Probing structures of soot formed in premixed flames of methane, ethylene and benzene , 2013 .

[3]  E. Eddings,et al.  FT-IR and 1H NMR characterization of the products of an ethylene inverse diffusion flame , 2006 .

[4]  Electo Eduardo Silva Lora,et al.  Biofuels: Environment, technology and food security , 2009 .

[5]  C. Myung,et al.  Exhaust nanoparticle emissions from internal combustion engines: A review , 2011 .

[6]  R. Lemaire,et al.  Study of soot formation during the combustion of Diesel, rapeseed methyl ester and their surrogates in turbulent spray flames , 2013 .

[7]  Pierre-Alexandre Glaude,et al.  A high temperature and atmospheric pressure experimental and detailed chemical kinetic modelling study of 2-methyl furan oxidation. , 2013, Proceedings of the Combustion Institute. International Symposium on Combustion.

[8]  A. Ciajolo,et al.  Dehydrogenation and growth of soot in premixed flames , 2015 .

[9]  Yuriy Román‐Leshkov,et al.  Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates , 2007, Nature.

[10]  Hongming Xu,et al.  Laminar Burning Velocities of 2,5-Dimethylfuran Compared with Ethanol and Gasoline , 2010 .

[11]  J. A. Menéndez,et al.  Infrared Spectroscopy of Carbon Materials: A Quantum Chemical Study of Model Compounds , 2003 .

[12]  Andrea D’Anna,et al.  Effect of furans on particle formation in diffusion flames: An experimental and modeling study , 2015 .

[13]  G. Oberdörster,et al.  Nanotoxicology: An Emerging Discipline Evolving from Studies of Ultrafine Particles , 2005, Environmental health perspectives.

[14]  M. Thomson,et al.  An experimental and numerical study of the effects of dimethyl ether addition to fuel on polycyclic aromatic hydrocarbon and soot formation in laminar coflow ethylene/air diffusion flames , 2011 .

[15]  Juhun Song,et al.  Examination of the oxidation behavior of biodiesel soot , 2006 .

[16]  Tami C. Bond,et al.  Critical assessment of the current state of scientific knowledge, terminology, and research needs concerning the role of organic aerosols in the atmosphere, climate, and global change , 2005 .

[17]  Hai Wang Formation of nascent soot and other condensed-phase materials in flames , 2011 .

[18]  L. Ntziachristos,et al.  Review of motor vehicle particulate emissions sampling and measurement: From smoke and filter mass to particle number , 2014 .

[19]  P. R. Westmoreland,et al.  Biofuel combustion chemistry: from ethanol to biodiesel. , 2010, Angewandte Chemie.

[20]  O. Armas,et al.  Impact of fuel formulation on the nanostructure and reactivity of diesel soot , 2012 .

[21]  J. Coates Interpretation of Infrared Spectra, A Practical Approach , 2006 .

[22]  Prasant Kumar Rout,et al.  Production of first and second generation biofuels: A comprehensive review , 2010 .

[23]  M. Salamanca,et al.  The effect of ethanol on the particle size distributions in ethylene premixed flames , 2012 .

[24]  A. Chughtai,et al.  The Structure of Hexane Soot I: Spectroscopic Studies , 1985 .

[25]  J. Lighty,et al.  Sooting behaviors of n-butanol and n-dodecane blends , 2014 .

[26]  R. Niessner,et al.  Reactivity and structure of soot generated at varying biofuel content and engine operating parameters , 2016 .

[27]  J. Robertson,et al.  Interpretation of Raman spectra of disordered and amorphous carbon , 2000 .

[28]  Octavio Armas,et al.  Effect of biodiesel fuels on diesel engine emissions , 2008 .

[29]  Pierre-Alexandre Glaude,et al.  Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran. , 2014, Combustion and flame.

[30]  A. D’Anna,et al.  Optical and electrical characterization of carbon nanoparticles produced in laminar premixed flames , 2014 .

[31]  A. Ciajolo,et al.  Effect of the flame environment on soot nanostructure inferred by Raman spectroscopy at different excitation wavelengths , 2015 .

[32]  M. Lance,et al.  Influence of soot surface changes on DPF regeneration , 2004 .

[33]  Juhun Song,et al.  Impact of Biodiesel Blending on Diesel Soot and the Regeneration of Particulate Filters , 2005 .

[34]  M. Maricq Chemical characterization of particulate emissions from diesel engines: A review , 2007 .

[35]  Andrea D’Anna,et al.  Combustion-formed nanoparticles , 2009 .

[36]  A. Ciajolo,et al.  Study on the contribution of different molecular weight species to the absorption UV–Visible spectra of flame-formed carbon species , 2013 .

[37]  R. Lemaire,et al.  Effect of ethanol addition in gasoline and gasoline–surrogate on soot formation in turbulent spray flames , 2010 .

[38]  M. P. Dorado,et al.  The effect of biodiesel fatty acid composition on combustion and diesel engine exhaust emissions , 2013 .

[39]  P. Glaude,et al.  A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation. , 2013, Combustion and flame.

[40]  H. Boehm.,et al.  Surface oxides on carbon and their analysis: a critical assessment , 2002 .

[41]  M. Salamanca,et al.  Particulate Formation in Premixed and Counter-flow Diffusion Ethylene/Ethanol Flames , 2012 .

[42]  M. Sirignano,et al.  Effect of furanic biofuels on particles formation in premixed ethylene–air flames: An experimental study , 2016 .

[43]  A. Ciajolo,et al.  Infrared spectroscopy of some carbon-based materials relevant in combustion: Qualitative and quantitative analysis of hydrogen , 2014 .

[44]  P. Seers,et al.  Analysis of the sooting propensity of C-4 and C-5 oxygenates: Comparison of sooting indexes issued from laser-based experiments and group additivity approaches , 2015 .

[45]  J. Agudelo,et al.  Effect of fuel on the soot nanostructure and consequences on loading and regeneration of diesel particulate filters , 2012 .

[46]  P. Glaude,et al.  Specificities Related to Detailed Kinetic Models for the Combustion of Oxygenated Fuels Components , 2013 .

[47]  P. Glaude,et al.  An experimental and kinetic investigation of premixed furan/oxygen/argon flames. , 2011, Combustion and Flame.

[48]  M. Salamanca,et al.  The role of dimethyl ether as substituent to ethylene on particulate formation in premixed and counter-flow diffusion flames , 2014 .

[49]  B. DeAngelo,et al.  Bounding the role of black carbon in the climate system: A scientific assessment , 2013 .

[50]  María U. Alzueta,et al.  Novel aspects in the pyrolysis and oxidation of 2,5-dimethylfuran , 2015 .

[51]  Pierre-Alexandre Glaude,et al.  Shock tube and chemical kinetic modeling study of the oxidation of 2,5-dimethylfuran. , 2013, The journal of physical chemistry. A.

[52]  J. Agudelo,et al.  Optimization of Raman Spectroscopy Parameters for Characterizing Soot from Different Diesel Fuels , 2011 .