TOOLS



CloudFlame is a cloud-based cyber infrastructure for managing combustion research and enabling collaboration. The infrastructure includes both software and hardware components and is freely offered to anyone with a valid professional or educational affiliation. This website provides a frontend for data search tools, web-based numerical simulations, and discussion forums.

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Surrogate fuels designed for specific combustion settings enable combustion simulations that leverage chemical kinetic mechanisms. A unique computational device, the Fuel Design Tool (FDT) has been developed and tested to formulate surrogates for various transportation fuels.
  • Surrogate fuels for several transportation fuels are formulated using the FDT and have been successfully evaluated in different combustion settings.
  • FDT is also useful in the design of  fuels for explicit experimental and modelling conditions.
  • The FDT has been implemented on the CloudFlame portal to allow combustion researchers to design fuels and formulate surrogate fuels specific to their requirements.
  • Detailed exploration of surrogate fuel formulations also led to enhanced understanding of effects of physical properties on combustion parameters.

 

Computational architecture of the  Fuel Design Tool


Details about the Fuel Design Tool are listed in the papers below and can be cited for the use of this tool
Ahmed, G. Goteng, V. S.B. Shankar, K. Al-Qurashi, W. L. Roberts, S. M. Sarathy
Fuel, 143, 290-300, (2015)
T. Javed, E. F. Nasir, A. Ahmed, J. Badra, K. Djebbi, M. Beshir, W. Ji, S. M. Sarathy, A. Farooq
Proceedings of the Combustion Institute,1540-7489, (2016)
S. M. Sarathy, G. Kukkadapu, M. Mehl, T. Javed, A. Ahmed, N. Naser, A. Tekawade, G. Kosiba, M. AlAbbad, E. Singh, S. Park, M. Al Rashidi, S. H. Chung, W. L. Roberts, M. A. Oehlschlaeger, C-J Sung, A. Farooq

The AramcoMech 2.0 builds upon AramcoMech1.3 and has been developed to characterize the kinetic and thermochemical properties of a large number of C1–C4-based hydrocarbon and oxygenated fuels over a wide range of experimental conditions. It was developed by the Combustion Chemistry Centre at NUI Galway and funded by Saudi Aramco.

AramcoMech2.0 has been developed hierarchically from the bottom up, starting with a H2/O2 sub-mechanism and followed by a C1 sub-mechanism; it has grown to include larger carbon species such as ethane, ethylene, acetylene, allene, propyne, propene, n-butane, isobutane, isobutene, 1-butene and 2-butene, and oxygenated species, including formaldehyde, acetaldehyde, methanol, ethanol, and dimethyl ether. 

This mechanism has been validated against a large array of experimental measurements including data from shock tubes, rapid compression machines, flames, jet-stirred and plug-flow reactors.

The papers listed below refer to the work from which the mechanism is derived. 

Y. Li, C-W. Zhou, K.P. Somers, K. Zhang, H.J. Curran
Proc. Combust. Inst., 36, 403-411 (2017) 
C-W. Zhou, Y. Li, E. O'Connor, K.P. Somers, S. Thion, C. Keesee, O. Mathieu, E.L. Petersen, T. A. DeVerter, M.A. Oehlschlaeger, G. Kukkadapu, C-J. Sung, M. Alrefae, F. Khaled, A. Farooq, P. Dirrenberger, P-A. Glaude, F. Battin-Leclerc, J. Santner, Y. Ju, T. Held, F.M. Haas, F.L. Dryer, H.J. Curran
Combust. Flame 167 353–379, (2016)
U. Burke, W.K. Metcalfe, S.M. Burke, K.A. Heufer, P. Dagaut, H.J. Curran
Combust. Flame 165 125–136, (2016)
S.M. Burke, U. Burke, O. Mathieu, I. Osorio, C. Keesee, A. Morones, E. Petersen, W. Wang, T. DeVerter, M. Oehlschlaeger, B. Rhodes, R. Hanson, D. Davidson, B. Weber, C-J. Sung, J. Santner, Y. Ju, F. Haas, F. Dryer, E. Volkov, E. Nilsson, A. Konnov, M. Alrefae, F. Khaled, A. Farooq, P. Dirrenberger, P-A. Glaude, F. Battin-Leclerc
Combust. Flame 162(2), 296–314, (2015)
S.M. Burke, W.K. Metcalfe, O. Herbinet, F. Battin-Leclerc, F.M. Haas, J. Santner, F.L. Dryer, H.J. Curran
Combust. Flame 161(11), 2765–2784, (2014)
W.K. Metcalfe, S.M. Burke, S.S. Ahmed, H.J. Curran
Int. J. Chem. Kinet. 45(10) 638–675, (2013)
A. Kéromnès, W.K. Metcalfe, K.A. Heufer, N. Donohoe, A.K. Das, C.J. Sung, J. Herzler, C. Naumann, P. Griebel, O. Mathieu, M.C. Krejci, E.L. Petersen, W.J. Pitz, H.J. Curran 
Combustion and Flame 160 995–1011, (2013)
 

The gasoline surrogate mechanism includes detailed chemistry for multi-component gasoline/naphtha fuel surrogates. Several species, relevant to the formulation of gasoline surrogates, are present in this mechanism, which has been validated against a large database of shock tube and rapid compression machine ignition delay times, as well as speciation data from flow reactors and premixed laminar flame speeds. The mechanism is validated for the following species:

  1. n-paraffins
    1. n-butane
    2. n-pentane
    3. n-hexane
    4. n-heptane
  2. iso-paraffins:
    1. iso-pentane
    2. 2-methylhexane
    3. iso-octane (2,2,4-trimethylpentane)
  3. aromatcis:
    1. toluene
    2. 1,2,4-trimethylbenzene
  4. olefins:
    1. 1-hexene
  5. naphthenes:
    1. cyclopentane
    2. cyclohexane

Following are the available versions of the mechanism, along with the thermo-database and transport files.