# Gulder coefficients for Hydrogen gas

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 September 28, 2016, 13:41 Gulder coefficients for Hydrogen gas #1 New Member   Shashi Join Date: Sep 2016 Posts: 3 Rep Power: 9 Hi... First of all thanks for the forum. I'm simulating Hydrogen fueled engine using G-eqn model. To calculate laminar flame speed I'm using Gulder equation but I don't know the gulder co-efficients 'omega', 'eta' and 'zeta' for Hydrogen. Can anyone provide the same or any alternate method to get the laminar flame speeds ? Thanks in advance!

 September 29, 2016, 13:50 #2 Member     Shengbai Xie Join Date: Aug 2016 Location: Convergent Science, Madison WI Posts: 60 Rep Power: 9 Hi, Currently we don't have those parameters as default for Hydrogen. You may find relevant researches else where. For example, this one: Milton, B.E., Keck, J.C. (1984) Laminar burning velocities in stoichiometric hydrogen and hydrogen-hydrocarbon gas mixtures, Combustion and Flame, Volume 58, Issue 1, 13-22 You would have to make a custom UDF for the hydrogen parameters as the paper's equations are different from Metghalchi & Keck and Gulder. Hope it helps.

November 14, 2017, 08:49
Numerical method to approximate the Gulder coefficient
#3
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Jonathan Johnsplass
Join Date: Jun 2017
Location: Norway
Posts: 3
Rep Power: 8
Hi. I computed the Gulder coefficients for hydrogen and other gas compounds and multicompositions in my master thesis. I developed a python script where i scripted an optimization routine based on the open-source chemical kinetics software Cantera.

I computed the Gulder coefficients for hydrogen with the GRI-Mech 3.0. Here follows the coefficients for hydrogen:

W [m/s] = 2.094
η [-] = 1.068
ξ [-] = 0.424
R**2 (W,ηξ) [-] = 0.97
Φ [-] = [0.3-2.5]
α [-] = 2.9
R**2 (α) [-] =0.99
T [-] = [250 K -961 K]
β [-] = -0.04
R**2 (β) [-] =0.78
P [-] = [0.5 atm - 10 atm]

*R**2 = Coefficient of determination
*I attached the python files inside a zip-file.
Attached Files
 Gulder.Coefficients.zip (3.1 KB, 141 views)

 December 27, 2019, 07:51 #4 Super Moderator     Tobias Holzmann Join Date: Oct 2010 Location: Tussenhausen Posts: 2,708 Blog Entries: 6 Rep Power: 51 Hi Jonathan, is there more information about your scripts available? I opened it but as there is no documentation it is a bit tricky to understand for someone who is not as familiar as you with the stuff. Tobi __________________ Keep foaming, Tobias Holzmann

 December 29, 2019, 14:33 #5 New Member   Jonathan Johnsplass Join Date: Jun 2017 Location: Norway Posts: 3 Rep Power: 8 Dear Tobias The aim of the scripts is to estimate the Gulder coefficients by approximating the laminar burning velocity as a function of pressure, temperature and fuel-air ratio, and then fitting the Gulder coefficients to the approximated data points. The laminar burning velocity estimate in the provided scripts is based on the class FREEFLAME [1] in Cantera. “Cantera is an open-source suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. The software automates the chemical kinetic, thermodynamic, and transport calculations so that the users can efficiently incorporate detailed chemical thermo-kinetics and transport models into their calculations.” [2] The alpha parameter is fitted to the data series where the laminar burning velocity is a function of temperature, the beta coefficient is fitted to pressure, and Omega, Eta and Xi is fitted when the laminar burning velocity is a function of equivalence ratio (normalized fuel-air ratio). It is necessary to find a chemical kinetic mechanism which contains the combustion species you want to simulate. Most of these mechanisms is in Chemkin-format [3]. It is necessary to convert the files in Chemkin format into the Cantera format CTI. Use the method describe in [4]. The CRECK Modeling Group have several detailed kinetic mechanisms which is Open-source [5], Cerfacs – the Centre of basic and applied research specialized in modelling and numerical simulation also provides kinetic mechanisms [6]. I suggest that you should check out the examples provided in Cantera [7]. You can pm me if you have a certain case you want to simulate. I used this method to generate the results in the paper [8], and the necessary parameters to simulate dimethyl carbonate with XiFOAM in [9]. Reference: [1] https://cantera.org/documentation/do...html#freeflame [2] Goodwin, D. G., Moffat, H. K., & Speth, R. L. (2009). Cantera: An object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes. Caltech, Pasadena, CA. [3] Kee, R. J., Rupley, F. M., & Miller, J. A. (1989). Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics (No. SAND-89-8009). Sandia National Labs., Livermore, CA (USA). [4] https://cantera.org/tutorials/ck2cti-tutorial.html [5] http://creckmodeling.chem.polimi.it/...led-mechanisms [6] http://www.cerfacs.fr/cantera/ [7] https://cantera.org/examples/python/...example-onedim [8] Johnsplass, J., Henriksen, M., Vågsæther, K., Lundberg, J., & Bjerketvedt, D. (2017, September). Simulation of burning velocities in gases vented from thermal run-a-way lithium ion batteries. In Proceedings of the 58th Conference on Simulation and Modelling (SIMS 58) Reykjavik, Iceland, September 25th–27th, 2017 (No. 138, pp. 157-161). Linköping University Electronic Press. [9] Johnsplass, J. (2017). Li-ion battery safety (Master's thesis, Høgskolen i Sørøst-Norge). Nikpap and TTYLOL like this.

September 7, 2020, 07:44
Could you attach your document of how these properties were calculated?
#6
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Manideep
Join Date: Jan 2020
Posts: 5
Rep Power: 6
Quote:
 Originally Posted by JonathanJohnsplass Hi. I computed the Gulder coefficients for hydrogen and other gas compounds and multicompositions in my master thesis. I developed a python script where i scripted an optimization routine based on the open-source chemical kinetics software Cantera. I computed the Gulder coefficients for hydrogen with the GRI-Mech 3.0. Here follows the coefficients for hydrogen: W [m/s] = 2.094 η [-] = 1.068 ξ [-] = 0.424 R**2 (W,ηξ) [-] = 0.97 Φ [-] = [0.3-2.5] α [-] = 2.9 R**2 (α) [-] =0.99 T [-] = [250 K -961 K] β [-] = -0.04 R**2 (β) [-] =0.78 P [-] = [0.5 atm - 10 atm] *R**2 = Coefficient of determination *I attached the python files inside a zip-file.
Hi, I am working with XiFoam solver for hydrogen/air mixture. Thank you for the gulders coefficients. Could you please send me the link to your masters thesis document where you have calculated these gulders coefficients so that I could use it as a reference in my thesis. Thank you in advance.

June 21, 2022, 05:26
#7
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Mat
Join Date: Jun 2022
Posts: 1
Rep Power: 0
Quote:
 Originally Posted by JonathanJohnsplass Hi. I computed the Gulder coefficients for hydrogen and other gas compounds and multicompositions in my master thesis. I developed a python script where i scripted an optimization routine based on the open-source chemical kinetics software Cantera. I computed the Gulder coefficients for hydrogen with the GRI-Mech 3.0. Here follows the coefficients for hydrogen: W [m/s] = 2.094 η [-] = 1.068 ξ [-] = 0.424 R**2 (W,ηξ) [-] = 0.97 Φ [-] = [0.3-2.5] α [-] = 2.9 R**2 (α) [-] =0.99 T [-] = [250 K -961 K] β [-] = -0.04 R**2 (β) [-] =0.78 P [-] = [0.5 atm - 10 atm] *R**2 = Coefficient of determination *I attached the python files inside a zip-file.
Hi, I am a new member of this community and I am a principiant in the use of CFD software. I need the Gulder coeffiecients for methanol, can you help me?

 October 20, 2022, 15:56 #8 Senior Member     Sameera Wijeyakulasuriya Join Date: Jan 2016 Location: Convergent Science, Madison WI Posts: 117 Rep Power: 10 CONVERGE allows you to read laminar flame speeds from a tabulated table. This will eliminate the need for any correlations. As long as you have a chemical mechanism for the fuel of interest, then we can use CONVERGE 1D solver to generate this table and use in your 3D simulation. __________________ Sameera Wijeyakulasuriya Principal Engineer, Applications CONVERGECFD

 Tags g-eqn, gulder co-efficients