Table 3.
Major models for the combustion of potential oxygenated components of fuel.
| Components | References of chemical kinetic models |
Conditions of validation | |
|---|---|---|---|
| Alcohols | Ethanol | Natarajan and Bhaskaran 1981 [21] |
- Shock tube (T=1300-1700 K, P=101-203 kPa, Φ=0.5-2.0) [21]. |
| Dunphy et al. 1991 [43] | - Shock tube (T=1080-1660 K, P=182-466 kPa, Φ=0.25-2.0) [44]. | ||
| Norton and Dryer 1992 [45] |
- Flow reactor (T=1100 K, P=101kPa, Φ=0.61-1.24) [45]. | ||
| Marinov et al. 1999 [46] | - Shock tube [21]*, [44]*; Flow reactor [45]*. - Laminar burning velocities in constant volume bomb (P=100-800 kPa, Φ=0.7-1.4) [47] and in counterflow twin-flame (P=101 kPa, Φ=0.55-1.8) [48]. - Jet-stirred reactor (T=1000-1200 K, P=101 kPa, Φ=0.2-2.0) [49]. |
||
| Saxena and Williams 2007 [50] |
- Shock tube [21]*, [44]*; Counterflow twin-flame [48]*. - Counterflow diffusion and partially premixed flames (P=101 kPa) [50]. - Extinction in counterflow diffusion flames (P=101 kPa) [51]. |
||
| Li et al, 2007 [52] | - Shock tube [21]*, [44]*; Laminar burning velocities [47]*, [48]*; Counterflow flames [50]*. - Flow Reactor (T=800-950 K, P=304-1216 kPa, Φ=0.3-1.4) [52]. |
||
| Cancino et al, 2010 [53] | - Shock tube [44]* and (P=1000-5000 kPa, T=750-1220K, Φ=0.3-1.0) [53]. |
||
| Leplat et al. 2011 [54] | - Shock tube [21]*, [44]*; Counterflow flames [50]*. - Jet stirred reactor (P=101 kPa, T=890-1250 K, Φ=0.25-2.0) [54]. - Premixed laminar flat flame (P=5 kPa, Φ=0.75-1.25) [54]. - Laminar burning velocities in constant volume bomb (P=100-1000 kPa, Φ=0.7-1.4) [55][56]. |
||
|
n-and iso- Propanol |
Johnson et al. 2009 [57] | - Shock Tube (T=1350-2000 K, P=101 kPa, Φ=0.5-2.0) [57]. | |
| Frassoldati et al. 2010 [58] |
- Shock tubes [57]*. - Counterflow diffusion flame (P= 101 kPa) [58]. - Flow reactors (P=101 kPa, T=1020-1120 K, Φ=0.61-1.18) [59]. - Premixed laminar flat flame (P=3.3-4.7 kPa, Φ=1.0-1.94) [60]. |
||
| Butanol | Moss et al. 2008 [27] (4 isomers of butanol) |
- Shock tube (T=1200-1800K, P=100-400 kPa, Φ=0.25-1.0) [27]. | |
| Dagaut et al. 2009 [61][62] (n-butanol) |
- Jet stirred reactor (P=101-1010 kPa, T=800-1250 K, Φ=0.25-2.0) [61][62]. - Counterflow diffusion flame (P=101 kPa) [61][62]. - Laminar burning velocities in constant volume bomb (P=90 kPa, Φ=0.8-1.2) [62][63]. |
||
| Black et al. 2010 [64] (n-butanol) |
- Jet stirred reactor [61]*. - Shock Tube (T=1100-1800 K, P=101-811 kPa, Φ=0.5-2) [64]. |
||
| Grana et al.2010 [65] (4 isomers of butanol) |
- Shock tube [27]*, [64]*; Flow reactors [59]*; Jet stirred reactor [61]*,[62]* - Counterflow diffusion flame [62]* and (P=101 kPa) [65]. - Shock tube pyrolysis (P=71-101 kPa, T=1200-1600 K) [66]. |
||
| Harper et al. 2011 [67] (n-butanol) |
- Shock tube [27]*, [64]*; Jet-stirred reactor [61]*, [62]*; Counterflow diffusion flame [62]*. - Shock tube (butanal:T=1200-1600 K, P=142-167 kPa, Φ=1.0-2.0) [68] - Butanol-doped methane diffusion flame (P=101 kPa) [69]. - Pyrolysis experiments in flow reactor (Tinl=673-749 K, Tmax= 923- 1080 K, P=172 kPa) [67]. |
||
| n-Pentanol | Togbé et al. 2011 [70] | - Jet-stirred reactor (P=1013 kPa, T=770-1220 K, Φ=0.35-4.0) [70]. - Laminar burning velocities in constant volume bomb (P=101 kPa, Φ=0.7-1.4) [70]. |
|
| n-Hexanol | Togbé et al. 2010 [71] | - Jet-stirred reactor (P=1013 kPa, T=560-1220 K, Φ=0.5-3.5) [71]. - Laminar burning velocities in constant volume bomb (P=100-1000 kPa, Φ=0.7-1.5) [71]. |
|
| Methyl esters | Dimethyl carbonate |
Glaude et al. 2005 [72] | - Counterflow diffusion flame (P=101 kPa) [73]. |
| Methyl butanoate |
Fisher et al. 2000 [74] | - Static reactor (P=40 kPa, T=541-741 K, Φ=3.25) [75]. | |
| Gaïl et al. 2007 [76], 2008 [77] |
- Jet-stirred reactor (T= 800-1400 K, P= 101 kPa, Φ=0.375-1.13) [76] [77]. - Flow reactor (T=500-900 K, P= 1266 kPa, Φ=0.35-1.5) [76]. - Counterflow diffusion flame (P= 101 kPa ) [76]. |
||
| Dooley et al. 2007 [78], 2008 [79]. |
- Jet-stirred reactor [76]*; Counterflow diffusion flame [76]*; Flow reactor [76]*. - Shock Tube (T= 1100-1760 K, P=101-405 kPa, Φ=0.25-1.5) [79], [78]. - Rapid compression machine (T= 640-949 K, P=1013-4053 kPa, Φ=0.33-1.0) [79]. |
||
| Hakka et al. 2010 [80] | - Shock Tube [78]* and (T=1280-1990K, P=770-922 kPa, Φ=0.25-2.0) [80]. - Rapid compression machine (T= 935–1117 K, P=1000 kPa, Φ=0.4) [81]. - Jet-stirred reactor (T= 800- 850 K, P= 101 kPa, Φ=0.5-1.0) [80]. |
||
| Methyl-2- butenoate |
Gaïl et al. 2008 [77] | - Jet-stirred reactor [77] - Counterflow diffusion flame (P=101 kPa) [77]. |
|
| Bennadji et al. 2011 [82] | - Shock Tube (T=1280-1930K, P=700-965 kPa, Φ=0.25-2.0) [82]. | ||
| Methyl hexanoate |
Dayma et al. 2008 [83] | - Jet-stirred reactor (T=500-1000 K, P=1013 kPa, Φ=0.5-1.5) [83]. | |
| Methyl heptanoate |
Dayma et al.2009 [85] | - Jet-stirred reactor (T=550-1150 K, P=1013 kPa, Φ=0.6-2.0) [85]. | |
| Glaude et al. 2010 [84] | - Jet-stirred reactor [85] * | ||
| Methyl Decanoate |
Herbinet et al. 2008 [86] | No direct validation. | |
| Glaude et al. 2010 [84] | - Jet-stirred reactor (T=500-1100 K, P=106 kPa, Φ=1.0) [84]. | ||
| Methyl Decenoates |
Herbinet at al. 2010 [87] | No direct validation. | |
| Heavier methyl esters |
Naik et al. 2011 [88] (Methyl Stearate, Methyl Oleate) |
No direct validation. | |
| Herbinet et al. 2011 [89] (Saturated C13, C15, C17, C19 ) |
- Jet-stirred reactor (P=106 kPa, T=550–1100 K, Φ=1.0) [90] (Methyl Palmitate/n-decane mixture). |
||
| Westbrook et al. 2010 [91][92]( Saturated C17 and C19 methyl esters, methyl oleate, methyl minoleate, methyl linolenate) |
- Jet-stirred reactor [90]* (Methyl Palmitate/n-decane mixture). - Jet-stirred reactor ((P=106 kPa, T=550–1100 K, Φ=1.0) [92] (Methyl Oleate/n-decane mixture). |
||
| Acyclic ethers | DME** | Dagaut et al. 1996 [93], 1998 [94] |
- Shock tube (T=650-1600 K, P=350-4000 kPa, Φ=0.5-2.0) [94]. - Jet-stirred reactor (P=101-1013 kPa, T=550-1275 K, Φ=0.2-2.5) [93] [94]. |
| Curran et al. 1998 [95], 2000 [96] |
- Jet-stirred reactor [93]*, [94]*. - Shock tube (T=650-1300 K, P=1317-4053 kPa, Φ=1.0) [97]. - Flow reactor (T=550-855 K, P=1216-1824 kPa, Φ=0.7-4.2) [96]. |
||
| Fischer et al. 2000 [98] | - Shock tube [94]*; Jet-stirred reactor [93]*. - Flow reactor pyrolysis (T=1060 K, P=253 kPa), near-pyrolysis (T=1118 K, P=101 kPa) and oxidation (T=1080-1086 K, P=101 kPa, Φ=0.3-3.4) [98] - Flow reactor (T=600-1500 K, P=101 kPa, Φ=0.5) [99]. |
||
| Zhao et al. 2008 [100] | - Shock tube [94]* [97]*; Flow reactor [96]*, [98]*, [99]*; Jet-stirred reactor [93]*, [94]*. - Shock tube (T=1241-1538 K, P=182-197 kPa, Φ=1.0-2.0) [100] - Flow reactor pyrolysis (T=980 K, P=1013 kPa) [100]. - Premixed laminar flat flame (P=4 kPa, Φ=0.98) [101] and (P=101 kPa, Φ=0.67) [102]. - Laminar flame speeds in spherical bomb (P=101-1013 kPa, Φ=0.6- 1.7) [103][104] and stagnation flame burner (P=101 kPa, Φ=0.7-1.4) [105]. |
||
| MTBE** | Brocard et al.1983 [106] | - Static reactor (T=573-773 K, P=13 kPa, Φ=7.5) [106]. | |
| Curran et al.1992 [107] | - Shock tube (T=1100-1900 K, P=355 kPa, Φ=0.15-2.4) [107]. | ||
| Goldaniga et al. 1998 [108] |
- Shock tube [107]*. - Jet-stirred reactor (P=1013 kPa, T=800-1150 K, Φ= 0.5-2.0) [108]. |
||
| Glaude et al. 2000 [109] | - Flow reactor [45]*; Static reactor [106]*. Jet-stirred reactor [108]*. | ||
| Yasunaga et al. 2010 [110] |
- Shock tube pyrolysis (T=900-1500 K, P=101-274 kPa) [110]. - Shock tubes oxidation (T=1400-1800 K, P=142-263 kPa) [110]. |
||
| ETBE** | Goldaniga et al. 1998 [108] |
- Jet-stirred reactor [108]*. | |
| Glaude et al. 2000 [109] | - Jet-stirred reactor [108]*. | ||
| Ogura et al. 2007 [111] | - Jet stirred reactor [108]*. | ||
| Yahyaoui et al. 2008 [112] |
- Shock tube (T=1280-1750 K, P=200-1000 kPa, Φ=0.25-1.5) [112]. - Laminar burning velocity in constant volume bomb (P=101 kPa, Φ=0.5-1.5) [112]. |
||
| Yasunaga et al. 2010 [110] |
- Shock tube pyrolysis [110]*. - Shock tubes oxidation [110]*. |
||
| Diethyl ether |
Yasunaga et al. 2010 [113] |
- Shock tube pyrolysis and oxidation (P=101-405 kPa, T=900-1900 K) [113] |
|
| Dimethoxy methane |
Daly et al. 2001 [114] | - Jet-stirred reactor (P=507 kPa, T=800-1200K, Φ= 0.444-1.778) [114]. |
|
| Dias et al. 2010 [115] | - Premixed laminar flat flame (Φ=0.24-1.72, P=5 kPa) [115]. | ||
| TAME** | Goldaniga et al. 1998 [108] |
- Jet-stirred reactor [108] | |
| DIPE** | Goldaniga et al. 1998 [108] |
- Jet-stirred reactor [108] | |
| Cyclic ethers | THF**, *** |
Dagaut et al. 1998 [116] | - Shock tube (P=203-507 kPa, T=1000-1800 K, Φ=0.5-2.0) [116]. - Jet-stirred reactor (P=101-1013 kPa, T=800-1100 K, Φ=0.5-1.0) [116]. |
| Furan*** | Tian et al. 2011 [117] | - Premixed laminar flat flame (P=4.7 kPa, Φ=1.4-2.2) [117]. - Shock tube pyrolysis (T=1100-1700 K, P=2017 kPa) [[118] (T=1533 K, P=26 kPa) [119]. |
|
*
Conditions presented above. Φ- equivalence ratio; T- temperature; P- pressure.
**
See full names and formulae in Table 1.
***
Not directly considered as a biofuel, but from the same family as potential biofuels.