aic14234-sup-0017-suppinfo

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Supporting material
Calculation of theoretical burning constants
Following Law and Williams 32,71 the burning constant is given as
π‘˜=
8πœ†π‘”
ln(1 + 𝐡)
πœŒπ‘™ 𝑐𝑝𝑔
𝐹
π‘Œ∞ (𝑂) Δr 𝐻 − 𝑐𝑝𝑔 (𝑇𝑏𝑝 − 𝑇∞ )
𝐡=(
)
Δ𝑣 𝐻
where the thermal conductivity πœ†π‘” and isobaric heat capacity 𝑐𝑝𝑔 are evaluated at the
mean temperature π‘‡π‘š = (𝑇𝑏𝑝 + 𝑇𝑓 )/2 between the flame temperature 𝑇𝑓 and the boiling
point 𝑇𝑏𝑝 of the liquid fuel. The specific heat capacity 𝑐𝑝𝑔 of the vapor is taken as the
solvent vapor and πœ†π‘” = 0.4πœ†π‘“π‘’π‘’π‘™ + 0.6πœ†π‘œπ‘₯𝑦𝑔𝑒𝑛 as the average of the solvent and oxygen.
Since the flame temperature is difficult to measure, 𝑇𝑓 ≈ 3100𝐾 is taken as a reasonable
average value for all solvents, as calculated with the Web-Code from McBride and
Gordon 85 from NASA Lewis Research Center. The heat of vaporization Δ𝑣 𝐻 and the
liquid density πœŒπ‘™ are taken at the boiling point 𝑇𝑏𝑝 of the liquid solvents. The heat of
combustion Δπ‘Ÿ 𝐻 is calculated at the ambient oxygen temperature 𝑇∞ = 298.15𝐾 from the
difference in the heats of formation, assuming the general combustion reaction:
𝑋 + 𝑂2 → 𝐢𝑂2 + 𝐻2 𝑂
where X is the fuel. The correlations for πœ†π‘” , 𝑐𝑝𝑔 , and πœŒπ‘™ are taken from VDI Heat Atlas 86,
since the correlations in Reid et al. 87 give unreliable values for 𝑐𝑝𝑔 of ethanol and πœ†π‘” of
xylene.
The following correlation is used for the liquid density [kg/m³]
πœŒπ‘™ =
𝐴
𝑇 𝐷
1+(1− π‘š )
𝐢
𝐡
where π‘‡π‘š [°K] is the mean temperature. The relevant constants are as follows.
Liquid
m-xylene
ethanol
heptane
dodecane
A
3.8870169
1.6432653
5.2745973
1.7011294
B
0.06065
0.04088
0.07741
0.04326
1
C
636.78
529.625
557.342
682.388
D
0.12093
0.09809
0.13673
0.11512
The specific heat capacities [J/(kg K)] are calculated with
0
𝑐𝑝𝑔
= 𝐴 + π΅π‘‡π‘š + πΆπ‘‡π‘š2 + π·π‘‡π‘š3 + πΈπ‘‡π‘š−2
where the constants are as follows.
Liquid
m-xylene
ethanol
heptane
dodecane
A
-155.2
116.9
-104.9
-4.5
B
5.36
5.125
6.982
6.539
C
-0.002773
-0.002685
-0.003907
-0.003487
D x 10³
0.000511
0.000545
0.000844
0.000713
E x 10³
0.000317
0.00088
-0.000154
-0.000226
D x 109
-0.06054
0.02568
E x 1012
0.05839
-0.00504
The heat conductivities [W/(mK)] are calculated with
πœ†π‘” = 𝐴 + π΅π‘‡π‘š + πΆπ‘‡π‘š2 + π·π‘‡π‘š3 + πΈπ‘‡π‘š4
where the constants are as follows.
Liquid
m-xylene
ethanol
heptane
dodecane
oxygen
A x 10³
-30.34
-2.69
-5.44
-7.22
-1.29
C x 106
0.00947
0.1096
0.08802
0.07379
-0.05263
B x 10³
0.123
0.027
0.033
0.027
0.107
The values of Δ𝑣 𝐻 and Δπ‘Ÿ 𝐻 are taken from CRC 83. π‘Œ∞ and (F/O) are the oxygen mass
fraction in the ambience and fuel-to-oxidizer mass ratio, respectively.
Preparation of SnO2 nanoparticles
The 𝑆𝑛𝑂2 nanoparticles are prepared by FSP with 0.5 mol/L Sn(II)2-ethylhexanoate in
xylene at common FSP parameters (e.g. 5 L/min dispersion gas at 2.5 bar absolute, 5
mL/min liquid feed rate, and methane/oxygen at 1.5/3.2 L/min). The Brunauer-EmmettTeller and X-Ray diffraction diameters are 9.1 nm and 9.3 nm, respectively. To avoid
additional droplet disruption, the 𝑆𝑛𝑂2 nanoparticles are only suspended with the aid of
an ultra-sonic bath for 2 min. Although sedimentation of the larger and agglomerated
nanoparticles can occur, the smaller nanoparticles stay suspended over a sufficiently
long time to conduct the experiments.
2
Example of flame contraction of a 0.5 mol/L Sn(II)2-ethylhexanoate in xylene
solution
Figure A: Evolution of (a) averaged flame diameter and normalized velocity and (b)
burning constant, for 0.5 mol/L Sn(II)2-ethylhexanoate in xylene (◊), burning in 0.4 L/min
coflowing oxygen. The initial velocity is π’—πŸŽ = 𝟎. πŸ“πŸ•π’Ž/𝒔
3
Thermogravimetric Analysis (TGA) of Sn(II)-, Cr(III)- and Ce(III)2-ethylhexanoate
Figure B: TGA of Sn(II)2-ethylhexanoate, Cr(III)2-ethylhexanoate and Ce(III)2-ethylhexanoate, respectively, for a heating rate of
7.5°K/min from room temperature to 1200°C in air. The initial (mini) and residual (mres) masses are 63.5mg, 51.3mg, 66.3mg and
34.3mg, 28.5mg, 28.9mg respectively.
4
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