Adiabatic Flame Temperatures for Oxy-Methane, Oxy-Hydrogen, Air-Methane, and Air-Hydrogen Stoichiometric Combustion using the NASA CEARUN Tool, GRI-Mech 3.0 Reaction Mechanism, and Cantera Python Package

Authors

  • Osama A. Marzouk College or Engineering, University of Buraimi, Oman
Volume: 13 | Issue: 4 | Pages: 11437-11444 | August 2023 | https://doi.org/10.48084/etasr.6132

Abstract

The Adiabatic Flame Temperature (AFT) in combustion represents the maximum attainable temperature at which the chemical energy in the reactant fuel is converted into sensible heat in combustion products without heat loss. AFT depends on the fuel, oxidizer, and chemical composition of the products. Computing AFT requires solving either a nonlinear equation or a larger minimization problem. This study obtained the AFTs for oxy-methane (methane and oxygen), oxy-hydrogen (hydrogen and oxygen), air-methane (methane and air), and air-hydrogen (hydrogen and air) for stoichiometric conditions. The reactant temperature was 298.15 K (25°C), and the pressure was kept constant at 1 atm. Two reaction mechanisms were attempted: a global single-step irreversible reaction for complete combustion and the GRI-Mech 3.0 elementary mechanism (53 species, 325 steps) for chemical equilibrium with its associated thermodynamic data. NASA CEARUN was the main modeling tool used. Two other tools were used for benchmarking: an Excel and a Cantera-Python implementation of GRI-Mech 3.0. The results showed that the AFTs for oxy-methane were 5,166.47 K (complete combustion) and 3,050.12 K (chemical equilibrium), and dropped to 2,326.35 K and 2,224.25 K for air-methane, respectively. The AFTs for oxy-hydrogen were 4,930.56 K (complete combustion) and 3,074.51 K (chemical equilibrium), and dropped to 2,520.33 K and 2,378.62 K for air-hydrogen, respectively. For eight combustion modeling cases, the relative deviation between the AFTs predicted by CEARUN and GRI-Mech 3.0 ranged from 0.064% to 3.503%.

Keywords:

AFT, adiabatic flame temperature, methane, hydrogen, chemical equilibrium with applications, CEA, CEARUN, Cantera, GRI-Mech 3.0

Downloads

Download data is not yet available.

References

Stability Analysis and Improvement using Eigenvalues and PSS: A Case Study of a Thermal Power Plant in Jamshoro, Pakistan," Engineering, Technology & Applied Science Research, vol. 10, no. 1, pp. 5301–5306, Feb. 2020.

K. R. M. Mahmoud and S. M. Ghania, "A New Assessment Parameter to Determine the Efficiency of a Hybrid Vehicle," Engineering, Technology & Applied Science Research, vol. 12, no. 5, pp. 9270–9275, Oct. 2022.

D. Lilley, "Adiabatic Flame Temperature Calculation: A Simple Approach for General CHONS Fuels," in 42nd AIAA Aerospace Sciences Meeting and Exhibit, Reno, NV, USA, Jan. 2004.

M. Vidal, W. Wong, W. J. Rogers, and M. S. Mannan, "Evaluation of lower flammability limits of fuel–air–diluent mixtures using calculated adiabatic flame temperatures," Journal of Hazardous Materials, vol. 130, no. 1, pp. 21–27, Mar. 2006.

C. V. Mashuga and D. A. Crowl, "Flammability zone prediction using calculated adiabatic flame temperatures," Process Safety Progress, vol. 18, no. 3, pp. 127–134, 1999.

N. A. Mazzeo, L. E. Venegas, and H. Choren, "Analysis of NO, NO2, O3 and NOx concentrations measured at a green area of Buenos Aires City during wintertime," Atmospheric Environment, vol. 39, no. 17, pp. 3055–3068, Jun. 2005.

Q. B. Jamali et al., "Analysis of CO2, CO, NO, NO2, and PM Particulates of a Diesel Engine Exhaust," Engineering, Technology & Applied Science Research, vol. 9, no. 6, pp. 4912–4916, Dec. 2019.

Md. N. Nabi, "Theoretical investigation of engine thermal efficiency, adiabatic flame temperature, NOx emission and combustion-related parameters for different oxygenated fuels," Applied Thermal Engineering, vol. 30, no. 8, pp. 839–844, Jun. 2010.

N. A. Bhave, M. M. Gupta, and S. S. Joshi, "Effect of oxy hydrogen gas addition on combustion, performance, and emissions of premixed charge compression ignition engine," Fuel Processing Technology, vol. 227, Mar. 2022, Art. no. 107098.

A. Rao, Y. Liu, and F. Ma, "Study of NOx emission for hydrogen enriched compressed natural along with exhaust gas recirculation in spark ignition engine by Zeldovich’ mechanism, support vector machine and regression correlation," Fuel, vol. 318, Jun. 2022, Art. no. 123577.

D. De Serio, A. de Oliveira, and J. R. Sodré, "Effects of EGR rate on performance and emissions of a diesel power generator fueled by B7," Journal of the Brazilian Society of Mechanical Sciences and Engineering, vol. 39, no. 6, pp. 1919–1927, Jun. 2017.

H. Huang, J. Tian, J. Li, and D. Tan, "Effects of Different Exhaust Gas Recirculation (EGR) Rates on Combustion and Emission Characteristics of Biodiesel–Diesel Blended Fuel Based on an Improved Chemical Mechanism," Energies, vol. 15, no. 11, Jan. 2022, Art. no. 4153.

P.-A. Glaude, R. Fournet, R. Bounaceur, and M. Molière, "Adiabatic flame temperature from biofuels and fossil fuels and derived effect on NOx emissions," Fuel Processing Technology, vol. 91, no. 2, pp. 229–235, Feb. 2010.

D. Razus, M. Molnarne, and O. Fuß, "Limiting oxygen concentration evaluation in flammable gaseous mixtures by means of calculated adiabatic flame temperatures," Chemical Engineering and Processing: Process Intensification, vol. 43, no. 6, pp. 775–784, Jun. 2004.

F. Normann, K. Andersson, B. Leckner, and F. Johnsson, "High-temperature reduction of nitrogen oxides in oxy-fuel combustion," Fuel, vol. 87, no. 17, pp. 3579–3585, Dec. 2008.

R. P. Singh, S. Kumar, S. Dubey, and A. Singh, "A review on working and applications of oxy-acetylene gas welding," Materials Today: Proceedings, vol. 38, pp. 34–39, Jan. 2021.

O. A. Marzouk, "Combined Oxy-fuel Magnetohydrodynamic Power Cycle." arXiv, Dec. 25, 2017.

O. A. Marzouk, "Multi-Physics Mathematical Model of Weakly-Ionized Plasma Flows," American Journal of Modern Physics, vol. 7, no. 2, pp. 87–102, Mar. 2018.

M. A. Khaskheli, K. N. Memon, A. H. Sheikh, A. M. Siddiqui, and S. F. Shah, "Tank Drainage for an Electrically Conducting Newtonian Fluid with the use of the Bessel Function," Engineering, Technology & Applied Science Research, vol. 10, no. 2, pp. 5377–5381, Apr. 2020.

"NASA CEARUN rev3c." https://cearun.grc.nasa.gov/.

Glenn Research Center, NASA, "Chemical Equilibrium with Applications." https://www1.grc.nasa.gov/research-and-engineering/ceaweb.

B. J. McBride and S. Gordon, "Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. Users Manual and Program Description." NASA, Jun. 01, 1996, [Online]. Available: https://ntrs.nasa.gov/citations/19960044559.

S. Gordon and F. J. Zeleznik, "A General IBM 704 or 7090 Computer Program for Computation of Chemical Equilibrium Compositions, Rocket Performance, and Chapman-jouguet Detonations," NASA-TN-D-1454, Oct. 1962. [Online]. Available: https://ntrs.nasa.gov/citations/19620007372.

A. Néron, G. Lantagne, and B. Marcos, "Computation of complex and constrained equilibria by minimization of the Gibbs free energy," Chemical Engineering Science, vol. 82, pp. 260–271, Sep. 2012.

S. Gordon, "Thermodynamic and transport combustion properties of hydrocarbons with air. Part 1: Properties in SI units." Jul. 1982, [Online]. Available: https://ntrs.nasa.gov/citations/19820024310.

M. Shi et al., "Production of argon free oxygen by adsorptive air separation on Ag-ETS-10," AIChE Journal, vol. 59, no. 3, pp. 982–987, 2013.

M. H. Khalaf and G. A. Mansoori, "Asphaltenes aggregation during petroleum reservoir air and nitrogen flooding," Journal of Petroleum Science and Engineering, vol. 173, pp. 1121–1129, Feb. 2019.

Gregory P. Smith et al., "GRI-Mech." http://combustion.berkeley.edu/gri-mech/.

"Use Goal Seek to find the result you want by adjusting an input value - Microsoft Support." https://support.microsoft.com/en-au/office/use-goal-seek-to-find-the-result-you-want-by-adjusting-an-input-value-320cb99e-f4a4-417f-b1c3-4f369d6e66c7.

A. Januszewski, "MS Excel in Management Accountants Education. Examples of the Goal Seeking Tool Application," in INTED2018 Proceedings, Valencia, Spain, 2018, pp. 7562–7571.

D. G. Goodwin, H. K. Moffat, I. Schoegl, R. L. Speth, and B. W. Weber, "Cantera: An Object-oriented Software Toolkit for Chemical Kinetics, Thermodynamics, and Transport Processes." Zenodo, Feb. 2022.

O. A. Marzouk, "Cantera-Based Python Computer Program for Solving Steam Power Cycles with Superheating," International Journal of Emerging Technology and Advanced Engineering, vol. 13, no. 3, pp. 63–73, Mar. 2023.

S. Gordon and B. J. Mcbride, "Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis." Oct. 1994, [Online]. Available: https://ntrs.nasa.gov/citations/19950013764.

"GRI-Mech 3.0 - NASA Polynomials." http://combustion.berkeley.edu/gri-mech/data/nasa_plnm.html.

O. A. Marzouk, "Assessment of Three Databases for the NASA Seven-Coefficient Polynomial Fits for Calculating Thermodynamic Properties of Individual Species," International Journal of Aeronautical Science & Aerospace Research, vol. 5, no. 1, pp. 150–163, Nov. 2018.

B. J. Mcbride, S. Gordon, and M. A. Reno, "Coefficients for calculating thermodynamic and transport properties of individual species," NASA-TM-4513, Oct. 1993. [Online]. Available: https://ntrs.nasa.gov/citations/19940013151.

K. A. Masavetas, "The mere concept of an ideal gas," Mathematical and Computer Modelling, vol. 12, no. 6, pp. 651–657, Jan. 1989.

B. J. McBride, M. J. Zehe, and S. Gordon, "NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species." Sep. 2002, [Online]. Available: https://ntrs.nasa.gov/citations/20020085330.

K. Kikuchi, T. Hori, and F. Akamatsu, "Fundamental Study on Hydrogen Low-NOx Combustion Using Exhaust Gas Self-Recirculation," Processes, vol. 10, no. 1, Jan. 2022, Art. no. 130.

Downloads

How to Cite

[1]
O. A. Marzouk, “Adiabatic Flame Temperatures for Oxy-Methane, Oxy-Hydrogen, Air-Methane, and Air-Hydrogen Stoichiometric Combustion using the NASA CEARUN Tool, GRI-Mech 3.0 Reaction Mechanism, and Cantera Python Package”, Eng. Technol. Appl. Sci. Res., vol. 13, no. 4, pp. 11437–11444, Aug. 2023.

Metrics

Abstract Views: 396
PDF Downloads: 427

Metrics Information