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The ignition characteristics of lean primary reference fuel (PRF)/air/exhaust gas recirculation (EGR) mixture under reactivity-controlled compression ignition (RCCI) and direct duel fuel stratification (DDFS) conditions are investigated by 2-D direct numerical simulations (DNSs) with a 116-species reduced chemistry of the PRF oxidation. The 2-D DNSs of the DDFS combustion are performed by varying the injection timing of iso -octane ( i -C 8 H 18 ) with a pseudo- iso -octane (PC 8 H 18 ) model together with a novel compression heating model to account for the compression heating and expansion cooling effects of the piston motion in an engine cylinder. The PC 8 H 18 model is newly developed to mimic the timing, duration, and cooling effects of the direct injection of i -C 8 H 18 onto a premixed background charge of PRF/air/EGR mixture with composition inhomogeneities. It is found that the RCCI combustion exhibits a very high peak heat release rate (HRR) with a short combustion duration due to the predominance of the spontaneous ignition mode of combustion. However, the DDFS combustion has much lower peak HRR and longer combustion duration regardless of the fuel injection timing compared to those of the RCCI combustion, which is primarily attributed to the sequential injection of i -C 8 H 18 . It is also found that the ignition delay of the DDFS combustion features a non-monotonic behavior with increasing fuel-injection timing due to the different effect of fuel evaporation on the low-, intermediate-, and high-temperature chemistry of the PRF oxidation. The budget and Damköhler number analyses verify that although a mixed combustion mode of deflagration and spontaneous ignition exists during the early phase of the DDFS combustion, the spontaneous ignition becomes predominant during the main combustion, and hence, the spread-out of heat release rate in the DDFS combustion is mainly governed by the direct injection process of i -C 8 H 18 . Finally, a misfire is observed for the DDFS combustion when the direct injection of i -C 8 H 18 occurs during the intermediate-temperature chemistry (ITC) regime between the first- and second-stage ignition. This is because the temperature drop induced by the direct injection of i -C 8 H 18 impedes the main ITC reactions, and hence, the main combustion fails to occur. [ABSTRACT FROM AUTHOR]

A methodology for estimating the octane index (OI), the research octane number (RON) and the motor octane number (MON) using ignition delay times from a constant volume combustion chamber with liquid fuel injection is proposed by adopting an ignition quality tester. A baseline data of ignition delay times were determined using an ignition quality tester at a charge pressure of 21.3 bar between 770 and 850 K and an equivalence ratio of 0.7 for various primary reference fuels (PRFs, mixtures of iso-octane and n -heptane). Our methodology was developed using ignition delay times for toluene reference fuels (mixtures of toluene and n -heptane). A correlation between the OI and the ignition delay time at the initial charge temperature enabled the OI of non-PRFs to be predicted at specified temperatures. The methodology was validated using ignition delay times for toluene primary reference fuels (ternary mixtures of toluene, iso-octane, and n -heptane), fuels for advanced combustion engines (FACE) gasolines, and certification gasolines. Using this methodology, the RON, the MON, and the octane sensitivity were estimated in agreement with values obtained from standard test methods. A correlation between derived cetane number and RON is also provided. [ABSTRACT FROM AUTHOR]

The ignition characteristics of isooctane and n- heptane in an ignition quality tester (IQT) were simulated using a two-stage Lagrangian (TSL) model, which is a zero-dimensional (0-D) reactor network method. The TSL model was also used to simulate the ignition delay of n- dodecane and n- heptane in a constant volume combustion chamber (CVCC), which is archived in the engine combustion network (ECN) library (http://www.ca.sandia.gov/ecn). A detailed chemical kinetic model for gasoline surrogates from the Lawrence Livermore National Laboratory (LLNL) was utilized for the simulation of n- heptane and isooctane. Additional simulations were performed using an optimized gasoline surrogate mechanism from RWTH Aachen University. Validations of the simulated data were also performed with experimental results from an IQT at KAUST. For simulation of n- dodecane in the CVCC, two n- dodecane kinetic models from the literature were utilized. The primary aim of this study is to test the ability of TSL to replicate ignition timings in the IQT and the CVCC. The agreement between the model and the experiment is acceptable except for isooctane in the IQT and n -heptane and n -dodecane in the CVCC. The ability of the simulations to replicate observable trends in ignition delay times with regard to changes in ambient temperature and pressure allows the model to provide insights into the reactions contributing towards ignition. Thus, the TSL model was further employed to investigate the physical and chemical processes responsible for controlling the overall ignition under various conditions. The effects of exothermicity, ambient pressure, and ambient oxygen concentration on first stage ignition were also studied. Increasing ambient pressure and oxygen concentration was found to shorten the overall ignition delay time, but does not affect the timing of the first stage ignition. Additionally, the temperature at the end of the first stage ignition was found to increase at higher ambient pressure and oxygen concentration. Sensitivity analysis was performed using the TSL model to elucidate the reactions that control the overall ignition process. The present TSL modeling approach demonstrates the suitability of using detailed chemical kinetic models to provide insights into spray combustion processes. [ABSTRACT FROM AUTHOR]

The substituted and unsubstituted aromatic hydrocarbons, present in transportation fuels such as gasoline and diesel, are thought to be responsible for most of the soot particles produced during their combustion. However, the effects of the substituted alkyl groups on the aromatic hydrocarbons on their sooting tendencies, and on the physical and chemical properties of soot produced from them are not well understood. In this work, the effect of the presence of methyl groups on aromatic hydrocarbons on their sooting propensity, and on the oxidative reactivity, morphology, and chemical composition of soot generated from them in diffusion flames is studied using benzene, toluene, and m- xylene as fuels. Several experimental techniques including high resolution transmission electron microscopy and X-ray diffraction are used to identify the morphological changes in soot, whereas the elemental and thermo-gravimetric analyses, electron energy loss spectroscopy, and Fourier transform infrared spectroscopy are used to study the changes in its chemical properties and reactivity. The activation energies for soot oxidation are calculated at different conversion levels, and a trend in the reactivity of soots from benzene, toluene and m- xylene is reported. It is observed that the sizes of primary particles and graphene-like sheets, and the concentrations of aliphatics and oxygenated groups in soot particles decreased with the addition of methyl group(s) on the aromatic ring. The physicochemical changes in soot are found to support the oxidative reactivity trends. [ABSTRACT FROM AUTHOR]

As regulatory measures for improved fuel economy and decreased emissions are pushing gasoline engine combustion technologies towards extreme conditions (i.e., boosted and intercooled intake with exhaust gas recirculation), fuel ignition characteristics become increasingly important for enabling stable operation. This study explores the effects of chemical composition on the fundamental ignition behavior of gasoline fuels. Two well-characterized, high-octane, non-oxygenated FACE (Fuels for Advanced Combustion Engines) gasolines, FACE F and FACE G, having similar antiknock indices but different octane sensitivities and chemical compositions are studied. Ignition experiments were conducted in shock tubes and a rapid compression machine (RCM) at nominal pressures of 20 and 40 atm, equivalence ratios of 0.5 and 1.0, and temperatures ranging from 650 to 1270 K. Results at temperatures above 900 K indicate that ignition delay time is similar for these fuels. However, RCM measurements below 900 K demonstrate a stronger negative temperature coefficient behavior for FACE F gasoline having lower octane sensitivity. In addition, RCM pressure profiles under two-stage ignition conditions illustrate that the magnitude of low-temperature heat release (LTHR) increases with decreasing fuel octane sensitivity. However, intermediate-temperature heat release is shown to increase as fuel octane sensitivity increases. Various surrogate fuel mixtures were formulated to conduct chemical kinetic modeling, and complex multicomponent surrogate mixtures were shown to reproduce experimentally observed trends better than simpler two- and three-component mixtures composed of n -heptane, iso -octane, and toluene. Measurements in a Cooperative Fuels Research (CFR) engine demonstrated that the multicomponent surrogates accurately captured the antiknock quality of the FACE gasolines. Simulations were performed using multicomponent surrogates for FACE F and G to reveal the underlying chemical kinetics linking fuel composition with ignition characteristics. A key discovery of this work is the kinetic coupling between aromatics and naphthenes, which affects the radical pool population and thereby controls ignition. [ABSTRACT FROM AUTHOR]

We develop a simplified model to better explain electric current response when direct current (DC) is applied to a flame. In particular, different current responses have been observed by changing the polarity of the DC in a sub-saturated current regime that results from the presence of ions and electrons in the flame zone. A flame zone was modeled as a thin, ionized layer located in one-dimensional DC electric fields. We derived simplified model-governing equations from species equations by implementing mobility differences dependent on the type of charged particle, particularly between ions and electrons; we performed experiments to substantiate the model. Results showed that the sub-saturated current and local field intensity were significantly influenced by the polarity of the DC because of the combined effect of unequal mobility of charged particles and the position of the ionized layer in the gap relative to two electrodes. When an energized electrode is close to the ionized layer, applying a negative DC causes a more rapid increase in current than by applying a positive DC to the same electrode. Results from our experimental measurement of current using counterflow diffusion flames agreed qualitatively well with the model predictions. A sensitivity analysis using dimensional and non-dimensional parameters also supported the importance of the mobility difference and the relative location of the ionized layer on the electric current response. [ABSTRACT FROM AUTHOR]

An updated reduced gas-phase kinetic mechanism was developed and integrated with aerosol models to predict soot formation characteristics in ethylene nonpremixed and premixed flames. A primary objective is to investigate the sensitivity of the soot formation to various chemical pathways for large polycyclic aromatic hydrocarbons (PAH). The gas-phase chemical mechanism adopted the KAUST-Aramco PAH Mech 1.0, which utilized the AramcoMech 1.3 for gas-phase reactions validated for up to C2 fuels. In addition, PAH species up to coronene (C 24 H 12 or A7) were included to describe the detailed formation pathways of soot precursors. In this study, the detailed chemical mechanism was reduced from 397 to 99 species using directed relation graph with expert knowledge (DRG-X) and sensitivity analysis. The method of moments with interpolative closure (MOMIC) was employed for the soot aerosol model. Counterflow nonpremixed flames at low strain rate sooting conditions were considered, for which the sensitivity of soot formation characteristics to different nucleation pathways were investigated. Premixed flame experiment data at different equivalence ratios were also used for validation. The findings show that higher PAH concentrations result in a higher soot nucleation rate, and that the total soot volume and average size of the particles are predicted in good agreement with experimental results. Subsequently, the effects of different pathways, with respect to pyrene- or coronene-based nucleation models, on the net soot formation rate were analyzed. It was found that the nucleation processes (i.e., soot inception) are sensitive to the choice of PAH precursors, and consideration of higher PAH species beyond pyrene is critical for accurate prediction of the overall soot formation. [ABSTRACT FROM AUTHOR]

The effects of temperature and composition stratifications on the ignition of a lean n -heptane/air mixture at three initial mean temperatures under elevated pressure are investigated using direct numerical simulations (DNSs) with a 58-species reduced mechanism. Two-dimensional DNSs are performed by varying several key parameters: initial mean temperature, T 0 , and the variance of temperature and equivalence ratio ( T ′ and ϕ ′) with different T − ϕ correlations. It is found that for cases with ϕ ′ only, the overall combustion occurs more quickly and the mean heat release rate (HRR) increases more slowly with increasing ϕ ′ regardless of T 0 . For cases with T ′ only, however, the overall combustion is retarded/advanced in time with increasing T ′ for low/high T 0 relative to the negative-temperature coefficient (NTC) regime resulting from a longer/shorter overall ignition delay of the mixture. For cases with uncorrelated T − ϕ fields, the mean HRR is more distributed over time compared to the corresponding cases with T ′ or ϕ ′ only. For negatively-correlated cases, however, the temporal evolution of the overall combustion exhibits quite non-monotonic behavior with increasing T ′ and ϕ ′ depending on T 0 . All of these characteristics are found to be primarily related to the 0-D ignition delays of initial mixtures, the relative timescales between 0-D ignition delay and turbulence, and the dominance of the deflagration mode during the ignition. These results suggest that an appropriate combination of T ′ and ϕ ′ together with a well-prepared T − ϕ distribution can alleviate an excessive pressure-rise rate (PRR) and control ignition-timing in homogeneous charge compression-ignition (HCCI) combustion. In addition, critical species and reactions for the ignition of n -heptane/air mixture through the whole ignition process are estimated by comparing the temporal evolution of the mean mass fractions of important species with the overall reaction pathways of n -heptane oxidation mechanism. The chemical explosive mode analysis (CEMA) verifies the important species and reactions for the ignition at different locations and times by evaluating the explosive index (EI) of species and the participation index (PI) of reactions. [ABSTRACT FROM AUTHOR]

A fundamental experiment involving the use of an ignition quality tester (IQT) was carried out to elucidate the effects of lubricant oil composition which could lead to low speed pre-ignition (LSPI) processes in direct injection spark ignition (DISI) engines. Prior to the IQT tests, lubricant base oils were analyzed using ultra-high resolution mass spectrometry to reveal their molecular composition. High molecular-weight hydrocarbons such as n C 16 H 34 , n C 17 H 36 , and n C 18 H 38 were selected as surrogates of lubricant base oil constituents, and then mixed with iso -octane ( i C 8 H 18 -gasoline surrogate) in proportions of 1 vol.% ( i C 8 H 18 = 99 vol.%) and 10 vol.% ( i C 8 H 18 = 90 vol.%) for the IQT experiments. In addition, lubricant base oils such as SN100 (Group I) and HC4 and HC6 (Group III) and a fully formulated lubricant (SAE 20W50) were mixed with iso -octane in the same proportions. The IQT results were conducted at an ambient pressure of 15 bar and a temperature range of 680–873 K. In the temperature range of 710–850 K, the addition of 10 vol.% base oils surrogates, base oils, and lubricating oil to the 90 vol.% i C 8 H 18 reduces the average total ignition delay time by up to 54% for all mixtures, while the addition of 1 vol.% to 99 vol.% i C 8 H 18 yielded a 7% reduction within the same temperature range. The shorter total ignition delay was attributed to the higher reactivity of the lubricant base oil constituents in the fuel mixtures. A correlation between reactivity of base oils and their molecular composition was tentatively established. These results suggest that the lubricants have the propensity of initiating LSPI in DISI engines. Furthermore, similar results for n -alkanes, lubricant base oils, and fully formulated commercial lubricants suggest that it is the hydrocarbon fraction that contributes primarily to enhanced reactivity, and not the inorganic or organometallic additives. [ABSTRACT FROM AUTHOR]

The incipient sooting tendencies of oxygenated fuels in counterflow diffusion flames were systematically assessed by doping selected oxygenate fuels into the baseline fuel of ethylene with various mixing ratios. Laser light scattering and planar laser-induced fluorescence (PLIF) techniques were adopted. The critical oxygen mole fractions at different mixing ratios were identified with the use of laser scattering. It is found that the critical oxygen mole fraction varies with oxygenates, suggesting that the effect of mixing ethylene with oxygenates is highly sensitive to the types of oxygenate. While the doping of acetone moderately promoted the incipient sooting tendency, the doping of methanol, acetic acid, formic acid, and diethyl carbonate suppressed the formation of incipient soot. On the other hand, the doping of ethanol, dimethyl carbonate, diethyl ether, and dimethoxymethane had weak influences on the incipient sooting tendency. The production of polycyclic aromatic hydrocarbons (PAHs) of different sizes were measured by PLIF. The results show there was a strong correlation between the incipient sooting tendency and the production of large PAHs. One important finding is that, at their sooting limits, the total oxygen-to-carbon ratio of a stoichiometric fuel/oxygen mixture is linearly correlated with the mixing ratio of the ethylene-oxygenate mixture. This slope of these two quantities can be defined as an incipient sooting index (ISI) of oxygenated fuels for ranking their tendency of incipient sooting formation. Having the slopes correlated well with the oxygenates' hydrogen/oxygen ratio, a reasonably accurate prediction of critical oxygen mole fractions from the molecule information of oxygenated fuels can be achieved. [ABSTRACT FROM AUTHOR]

The blow-out limits of nonpremixed turbulent jet flames in cross flows were studied, especially concerning the effect of ambient pressure, by conducting experiments at atmospheric and sub-atmospheric pressures. The combined effects of air flow and pressure were investigated by a series of experiments conducted in an especially built wind tunnel in Lhasa, a city on the Tibetan plateau where the altitude is 3650 m and the atmospheric pressure condition is naturally low (64 kPa). These results were compared with results obtained from a wind tunnel at standard atmospheric pressure (100 kPa) in Hefei city (altitude 50 m). The size of the fuel nozzles used in the experiments ranged from 3 to 8 mm in diameter and propane was used as the fuel. It was found that the blow-out limit of the air speed of the cross flow first increased (“cross flow dominant” regime) and then decreased (“fuel jet dominant” regime) as the fuel jet velocity increased in both pressures; however, the blow-out limit of the air speed of the cross flow was much lower at sub-atmospheric pressure than that at standard atmospheric pressure whereas the domain of the blow-out limit curve (in a plot of the air speed of the cross flow versus the fuel jet velocity) shrank as the pressure decreased. A theoretical model was developed to characterize the blow-out limit of nonpremixed jet flames in a cross flow based on a Damköhler number, defined as the ratio between the mixing time and the characteristic reaction time. A satisfactory correlation was obtained at relative strong cross flow conditions (“cross flow dominant” regime) that included the effects of the air speed of the cross flow, fuel jet velocity, nozzle diameter and pressure. [ABSTRACT FROM AUTHOR]

2-Methylbutanol (2-methyl-1-butanol) is one of several next-generation biofuels that can be used as an alternative fuel or blending component for combustion engines. This paper presents new experimental data for 2-methylbutanol, including ignition delay times in a high-pressure shock tube and premixed laminar flame speeds in a constant volume combustion vessel. Shock tube ignition delay times were measured for 2-methylbutanol/air mixtures at three equivalence ratios, temperatures ranging from 750 to 1250 K, and at nominal pressures near 20 and 40 bar. Laminar flame speed data were obtained using the spherically propagating premixed flame configuration at pressures of 1, 2, and 5 bar. A detailed chemical kinetic model for 2-methylbutanol oxidation was developed including high- and low-temperature chemistry based on previous modeling studies on butanol and pentanol isomers. The proposed model was tested against new and existing experimental data at pressures of 1–40 atm, temperatures of 740–1636 K, equivalence ratios of 0.25–2.0. Reaction path and sensitivity analyses were conducted for identifying key reactions at various combustion conditions, and to obtain better understanding of the combustion characteristics of larger alcohols. [ABSTRACT FROM AUTHOR]

In a triple-port burner, various non-premixed flames have been observed previously. Especially for the case with two lifted flames, such configuration could be suitable in studying interaction between two tribrachial flames. In the present study, the flame characteristics have been investigated numerically by adopting a reduced kinetic mechanism in the triple-port burner. Four different types of flame configurations, including two attached flames, inner lifted/outer attached flames, inner attached/outer lifted flames, and twin lifted flames, were successfully simulated depending on the flow conditions. The representative edge propagation speed of a single lifted flame or an upstream lifted flame in the case of twin lifted flames increased as the liftoff height became higher. In the twin lifted flames, the inner lifted flame was affected appreciably when the other flame was located further upstream such that the lifted flame located further downstream encountered the axial velocity acceleration induced by the gas expansion from the lifted flame located upstream, while thermal effects were not observed since the temperature of the incoming flow toward the lifted flame was not affected. A unique flip–flop behavior between the inner and outer flames, observed experimentally previously, was successfully captured in the simulation such that the inner lifted flame became attached to the nozzle as the liftoff height of the outer lifted flame grew higher with an increase in the outer air velocity. [ABSTRACT FROM AUTHOR]

The characteristics of tip openings in premixed bunsen flames have been studied experimentally by measuring OH radicals from laser-induced fluorescence and tip curvatures from chemiluminescent images. Results showed that the tip opening occurred at a constant equivalence ratio and was independent of the jet velocity in propane/air mixtures. The observation of a local extinction phenomenon of the negatively stretched flame due to the flame curvature could not be consistently explained based on flame stretch or the Karlovitz number, since they varied appreciably with the jet velocity. The concept of the local Karlovitz number (Ka L ) was introduced, which is defined as the ratio of the characteristic reaction time in the normal direction for a stretched flame to the characteristic flow time in the tangential direction for the stretched flame. The local Karlovitz number maintained a constant value under tip opening conditions, irrespective of the jet velocity. Tip opening occurred at a reasonably constant local Karlovitz number of about ∼1.72 when the nitrogen dilution level in propane and n-butane fuels was varied. [ABSTRACT FROM AUTHOR]

Abstract: Soot particles are composed of polycyclic aromatic hydrocarbons (PAHs), which have either planar or curved structures. The oxidation behaviors of soot particles differ depending on their structures, arrangement of PAHs, and the type of surface functional groups. The oxidation rate of curved PAHs in soot is thought to be higher than that of planar ones. To understand the role that PAH structure plays in soot reactivity towards O2, experimental studies are conducted on two types of commercially produced soot, Printex-U and Fullerene soot, using high resolution transmission electron microscopy, electron energy loss spectroscopy, thermo-gravimetric analysis and elemental analysis. The relative concentrations of active sites, oxygenated functional groups, aliphatics and aromatics present in soots are evaluated. The activation energies for soot oxidation at different conversion levels are determined. The average activation energies of the two soots are found to differ by 26kJ/mol. To understand the reason for this difference, quantum calculations using density functional (B3LYP) and Hartree–Fock theories are conducted to study the reaction pathways of the oxidation by O2 of planar and curved PAHs using 4-pyrenyl and 1-corannulenyl as their model molecules, respectively. The energetically preferred channels for curved PAH oxidation differ from the planar one. The addition of O2 on a radical site of a six-membered ring to form a peroxyl radical is found to be barrierless for both the model PAHs. For peroxyl decomposition, three pathways are suggested, each of which involve the activation energies of 108, 170 and 121kJ/mol to form stable molecules in the case of planar PAH, and 94, 155 and 125kJ/mol in the case of curved PAH. During the oxidation of a five-membered ring, to form stable molecules, the activation energies of 90kJ/mol for the curved PAH and 169kJ/mol for the planar PAH relative to the energy of the peroxyl radical are required. The low activation barriers of preferred pathways for the oxidation of six and five-membered rings present on curved PAH (as compared to the planar one) explain and support its experimentally observed high reactivity. [Copyright &y& Elsevier]

Abstract: Soot deposition process in diffusion flames along a solid wall has been investigated experimentally under a microgravity environment. An ethylene (C2H4) diffusion flame was formed around a cylindrical rod-burner with the surrounding air velocities of V a =2.5, 5, and 10cm/s, the oxygen concentration of 35%, and the burner wall temperature of 300K. A laser extinction method was adopted to measure the distribution of soot volume fraction. The experiments determined the trace of maximum soot concentration together with the relative distance of the trace of flame. Results showed that the distance was about 2–5mm. As the surrounding air velocity increased, the region of the soot particle distribution moved closer to the burner wall. The soot particles near the flame zone tended to move away from the flame zone because of the thermophoretic force and to concentrate at a certain narrow region inside the flame. Because of the simultaneous effects of convection and the thermophoresis, soot particles finally adhered to the burner wall. It has been found that there existed an optimal air velocity for the early deposition of soot on the furnace wall. [Copyright &y& Elsevier]

Although there was significant advancement on polycyclic aromatic hydrocarbon (PAH) formation, current mechanisms are still limited in providing an integrated and accurate scheme of PAH yield in combustion conditions; thus, a more detailed and comprehensive understanding is necessary. This work provides a systematic investigation of PAH growth by phenylacetylene addition. A combination of the density functional theory (DFT/B3LYP/6-311+G(d,p)) and the complete basis set method (CBS-QB3) is utilized to calculate the potential energy surfaces. The reaction system is initiated by the H elimination reaction of phenylacetylene + H → o -ethynylphenyl + H 2 , and then, the addition reaction of phenylacetylene and o -ethynylphenyl can produce PAHs with one, two, three, and four rings. The temperature- and pressure-dependent reaction rate coefficients are calculated via a combination of conventional transition state theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) theory with solving the master equation in the temperature range of 500-2500 K and at the pressure range of 0.01-10 atm. There are 263 species and 65 reactions in this reaction system. It shows that the rate constants of this reaction system are highly temperature-dependent and slightly sensitive to the pressure at temperatures lower than 1300 K. To evaluate the yield distributions of various PAH products in the whole reaction network, a closed 0-D batch reactor model in Chemkin is used to calculate the C 6 H 5 C 2 H-C 2 H 2 -H-Ar reaction system. The results showed that the prevailing products of this system are three-ring PAHs with side chain structures. Compared with the traditional HACA pathways, the investigated reaction system presents higher efficiency in large PAH formations, which could subsequently promote the formation of soot particles. The phenylacetylene and o-ethynylphenyl reaction network emphasizes the importance of species with side chains, and it enriches current PAH growth pathways aside from the addition of small species such as C 2 H 2 .