n-Dodecane

Table of contents

1. Model files
   1. High-T model (detailed)
   2. High-T model (detailed, refit to 9999 K)
   3. High-T model (skeletal)
   4. High-T model (skeletal, refit to 9999 K)
   5. NTC-enabled model
2. Model performance
   1. High temperature
   2. NTC
   3. Model reduction
3. References

Model files

High-T model (detailed)

CTI YAML Chemkin

High-T model (detailed, refit to 9999 K)

CTI YAML Chemkin

High-T model (skeletal)

CTI YAML Chemkin

High-T model (skeletal, refit to 9999 K)

CTI YAML Chemkin

NTC-enabled model

CTI YAML Chemkin

Model performance

High temperature

Figure 1: n-Dodecane ignition delay time at high temperature. Model predictions contain high-T detailed model, high-T skeletal model, and NTC-enabled model. Experimental measurements are from MRW2020: Mao et al. ¹, and DHP2011: Davidson et al. ².

Figure 2: Time history of multiple species from oxidation of n-dodecane. Model predictions contain high-T detailed model, high-T skeletal model, and NTC-enabled model. Shock tube oxidation measurement is from DHP2011: Davidson et al. ². Initial condition: tempearture and pressure are listed on each subplots, $\phi$=1, $n$-C₁₂H₂₆/0.75%O₂/Ar.

Figure 3: Species time history of n-dodecane and ethylene from thermal decomposition of n-dodecane. Model predictions contain high-T detailed model, high-T skeletal model, and NTC-enabled model. Shock tube pyrolysis measurement is from MRZ2013: MacDonald et al. ³. Initial condition: 1306 K, 17.2 atm, and 0.17%$n$-C₁₂H₂₆/99.83%Ar.

Figure 4: Yield of multiple species from n-dodecane oxidation and pyrolysis. Model predictions contain high-T detailed model, high-T skeletal model, and NTC-enabled model. Shock tube measurement is from MB2013: Malewicki and Brezinsky ⁴.

NTC

Figure 5: n-Dodecane ignition delay time extended to NTC-related temperature. Model predictions are from NTC-enabled model. Experimental measurements are from MRW2020: Vasu ⁵, Shao et al. ⁶, and Mao et al. ¹.

Model reduction

Figure 6: Comparison of detailed and skeletal model predictions of n-dodecane ignition delay time at high temperature. Initial conditions (used as DRG targets): $T_5$ from 1200 to 2000 K, $P_5$ = 0.5, 1, 5, 30 atm, and $\phi$ = 0.5, 1.0, 1.5.

Figure 7: Comparison of detailed and skeletal model predictions of n-dodecane PSR S-curve. Initial conditions (used as DRG targets): $T_{in}$ = 300 K, $P$ = 0.5, 1, 5, 30 atm, and $\phi$ = 0.5, 1.0, 1.5.

Figure 8: Comparison of detailed and skeletal model predictions of n-dodecane ZND temperature profile. Post shock conditions (not used as DRG targets, only for testing): $T_0$ = 300 K, $P_0$ = 1, 5, 30 atm, and $\phi$ = 1.0.

References

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