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Research Papers: Fuel Combustion

The Rate-Controlled Constrained-Equilibrium Combustion Modeling of n-Pentane/Oxygen/Diluent Mixtures

[+] Author and Article Information
Linghao Du, Ziyu Wang, Hameed Metghalchi

Department of Mechanical and
Industrial Engineering,
Northeastern University,
Boston, MA 02115

Guangying Yu

Department of Mechanical and
Industrial Engineering,
Northeastern University,
Boston, MA 02115
e-mail: yu.g@husky.neu.edu

1Corresponding author.

Contributed by the Advanced Energy Systems Division of ASME for publication in the JOURNAL OF ENERGY RESOURCES TECHNOLOGY. Manuscript received January 10, 2019; final manuscript received January 11, 2019; published online February 14, 2019. Special Editor: Reza Sheikhi.

J. Energy Resour. Technol 141(8), 082206 (Feb 14, 2019) (10 pages) Paper No: JERT-19-1018; doi: 10.1115/1.4042532 History: Received January 10, 2019; Revised January 11, 2019

Rate-controlled constrained equilibrium (RCCE) is a reduction technique used to describe the time evolution of complex chemical reacting systems. This method is based on the assumption that a nonequilibrium system can reach its final equilibrium state by a series of RCCE states determined by maximizing entropy or minimizing relevant free energy. Those constraints are imposed by some small number of slow reactions. Much research has been done on this method and many RCCE models of C1C4 hydrocarbon fuel combustion have been established by the previous researchers. Those models show good performance compared with the result of detailed kinetic model (DKM). In this study, RCCE method is further developed to model normal pentane (n-C5H12) combustion with least number of constraints. The chemical mechanism for DKM contains 133 species and 922 reactions. Two sets of constraints were found during the study: (1) 16 constraints for the normal pentane and pure oxygen mixture and (2) 14 constraints for the mixture of normal pentane and oxygen with argon as diluent. Results of the first constraint set were compared with result of DKM and results of the second constraint set were compared with those of DKM and experimental data by calculating their ignition delay times. Comparisons showed that the first set of constraints had relatively good accuracy and the second set of constraints agreed very well with the experimental data.

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Figures

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Fig. 1

Improvement of RCCE model for n−C5H12/O2 mixture at Ti=1300 K, pi=11 atm, and ϕ=0.5

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Fig. 2

n−C5H12, CO2, H2O, O, OH, CO mole fraction versus time for DKM and RCCE with 15 constraints at Ti=1300 K, pi=11 atm, and ϕ=0.5

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Fig. 6

The improvement of RCCE model for n-C5H12/O2 mixture at Ti=1400 K, pi=11 atm and ϕ=0.5

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Fig. 7

The improvement of RCCE model for n−C5H12/O2 mixture at Ti=1200 K, pi=11 atm and ϕ=0.5

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Fig. 8

Temperature profile of RCCE and DKM for n−C5H12/O2/Ar mixture at Ti=1300 K, pi=11 atm, and ϕ=0.5

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Fig. 9

Fuel, oxygen, and product mole fraction versus time at Ti=1300 K, pi=11 atm, and ϕ=0.5

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Fig. 10

Comparison in ignition delay time between RCCE, DKM, and experimental data at different initial temperatures for  n−C5H12/O2/Ar mixture with 0.259% fuel and 4.144% oxygen at initial pressure 2 atm and ϕ=0.5

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Fig. 11

Comparison in ignition delay time between RCCE, DKM, and experimental data at different initial temperatures for n−C5H12/O2/Ar mixture with 0.259% fuel and 4.144% oxygen at initial pressure 11 atm and ϕ=0.5

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Fig. 12

Comparison in ignition delay time between RCCE, DKM, and experimental data at different initial temperatures for n−C5H12/O2/Ar mixture with 0.259% fuel and 4.144% oxygen at initial pressure 22 atm and ϕ=0.5

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Fig. 13

Comparison in ignition delay time between RCCE, DKM, and experimental data at different initial temperatures for n−C5H12/O2/Ar mixture with 0.5% fuel and 8% oxygen at initial pressure 10 atm and ϕ=0.5

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Fig. 3

O, H, HO2, H2O2, HCO mole fractions versus time for DKM and RCCE with 15 constraints at Ti=1300 K, pi=11 atm, and ϕ=0.5

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Fig. 4

Comparison of temperature profile between RCCE and DKM for different initial pressure at Ti=1300 K and ϕ=0.5

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Fig. 5

Comparison of temperature profile between RCCE and DKM for different initial temperature at pi=11 atm and ϕ=0.5

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