Step 3 - Revision history

Lartigue at 14:22, 5 February 2024

2024-02-05T14:22:28Z

Coria: /* Kinetics */

2020-08-27T13:51:54Z

‎Kinetics

Lartigue: /* Step 3 description */

2020-08-25T21:14:24Z

‎Step 3 description

Lartigue: /* Kinetics */

2020-08-25T21:09:32Z

‎Kinetics

Lartigue: /* Step 3 description */

2020-08-25T21:05:35Z

‎Step 3 description

Lartigue: /* Kinetics */

2020-08-25T21:05:06Z

‎Kinetics

Lartigue: /* Kinetics */

2020-08-25T21:04:34Z

‎Kinetics

Lartigue: /* References */

2020-08-25T21:04:00Z

‎References

Lartigue: /* Kinetics */

2020-08-25T20:57:49Z

‎Kinetics

Xonnainty at 20:33, 23 August 2020

2020-08-23T20:33:19Z

@@ Line 103: / Line 103: @@
 * [[File:H2_williams_12.xml.zip | ctml ]]
 * [[File:H2_williams_12.cti | cti]]
 = Transport and thermodynamic properties used for this Step =

@@ Line 98: / Line 98: @@
 = Kinetics =
-The kinetic scheme of Boivin et al.<ref name="Boivin2011"/> [https://doi.org/10.1016/j.proci.2010.05.002] which contains 9 species and 12 reactions has been used for this Benchmark.
+The kinetic scheme of [https://doi.org/10.1016/j.proci.2010.05.002 Boivin et al.]<ref name="Boivin2011"/> which contains 9 species and 12 reactions has been used for this Benchmark.
 This mechanism is provided here in the Cantera format:

@@ Line 3: / Line 3: @@
 The purpose of this configuration is to perform a simulation similar to '''Step 2''' but involving now a '''mixture of different gaseous species''' at different temperatures, still '''without any chemical reaction'''.
 In this manner, it is possible to assess the accuracy of the numerical models involved in the description of species and heat diffusion
-The thermodynamic and transport properties of the 12 species kinetic scheme of Boivin et al.<ref name="Boivin2011"/> should be used in preparation for the next step, even though the reactions are still neglected here.
+The thermodynamic and transport properties of the 9 species kinetic scheme of Boivin et al.<ref name="Boivin2011"/> should be used in preparation for the next step, even though the reactions are still neglected here.
 It should be noted that in this case, the '''density is variable''' in both '''space''' and '''time''' due to the changing composition, which was not the case in the previous step: this induces additional numerical difficulties that must be taken into account.
@@ Line 27: / Line 27: @@
 <math>Y_\mathrm{O_2}(x) = Y^0_{\mathrm{O_2}}\left(\psi(x)\right).</math> (4)
-where <math>R = \pi/4 mm</math> and <math>c = 3</math> are the half-width of the central slab and stiffness parameter, respectively.
+where <math>R = \pi/4</math> mm and <math>c = 3</math> are the half-width of the central slab and stiffness parameter, respectively.
 As a consequence, there is initially a small region where both fuel and oxidizer coexist.
 Finally, a nitrogen complement is added everywhere using <math>Y_\mathrm{N_2}=1-Y_\mathrm{H_2}-Y_\mathrm{O_2}</math>.
@@ Line 76: / Line 76: @@
 On the other hand, considering that implementing advanced models for fluid viscosity and thermal conductivity is not difficult and does not increase the computational time significantly, local values of these quantities depending on composition and temperature should be taken into account;
 More specifically, and to ease further comparisons, the same models for viscosity and conductivity have been retained in the three participating codes, i.e. the mixture averaged formalism that is used in both the '''Cantera''' and '''Chemkin packages'''.
 The viscosity is variable in the computational domain as well as with time and the '''Reynolds number''' of this configuration can only be estimated using the minimal value of viscosity (which is obtained in the air at 300 K, <math>\nu_\mathrm{min} \approx 1.56 \, 10^{-5} \mathrm{m^2/s}</math>), leading to <math>Re = {u_0 L_0}/{\nu_{min}}=267</math> which guarantees a laminar flow.
@@ Line 85: / Line 84: @@
 The '''reference time scale''' is here <math>\tau_\mathrm{ref}=L_0/u_0 = 0.25 \; \mathrm{ms}</math>.
 The simulation should be performed for a physical time of at least <math>t=0.5 \; \mathrm{ms} = 2 \tau_\mathrm{ref}</math> as most of the results presented in this article are taken from this instant.
 [[File:wmag_t0.png|250px|alt text]]

@@ Line 100: / Line 100: @@
 = Kinetics =
-The Boivin scheme [https://doi.org/10.1016/j.proci.2010.05.002] has been used for this Benchmark.
+The kinetic scheme of Boivin et al.<ref name="Boivin2011"/> [https://doi.org/10.1016/j.proci.2010.05.002] which contains 9 species and 12 reactions has been used for this Benchmark.
+This mechanism is provided here in the Cantera format:
+* [[File:H2_williams_12.xml.zip | ctml ]]
-[https://benchmark.coria-cfd.fr/index.php/File:H2_williams_12.xml.zip]
+* [[File:H2_williams_12.cti | cti]]
-[https://benchmark.coria-cfd.fr/index.php/File:H2_williams_12.cti]
 = Transport and thermodynamic properties used for this Step =

@@ Line 3: / Line 3: @@
 The purpose of this configuration is to perform a simulation similar to '''Step 2''' but involving now a '''mixture of different gaseous species''' at different temperatures, still '''without any chemical reaction'''.
 In this manner, it is possible to assess the accuracy of the numerical models involved in the description of species and heat diffusion
-The thermodynamic and transport properties of the 9 species kinetic scheme of Boivin et al.<ref name="Boivin2011"/> should be used in preparation for the next step, even though the reactions are still neglected here.
+The thermodynamic and transport properties of the 12 species kinetic scheme of Boivin et al.<ref name="Boivin2011"/> should be used in preparation for the next step, even though the reactions are still neglected here.
 It should be noted that in this case, the '''density is variable''' in both '''space''' and '''time''' due to the changing composition, which was not the case in the previous step: this induces additional numerical difficulties that must be taken into account.

@@ Line 132: / Line 132: @@
 = References =
 <references>
@@ Line 145: / Line 143: @@
 	volume={33},
 	pages={517--523},
+}
 </bibtex>

← Older revision		Revision as of 20:57, 25 August 2020
Line 102:		Line 102:
	The Boivin scheme has been used for this Benchmark.		The Boivin scheme has been used for this Benchmark.

−	~~'''Put the data here'''~~


		+	[https://benchmark.coria-cfd.fr/index.php/File:H2_williams_12.xml.zip]
		+	[https://benchmark.coria-cfd.fr/index.php/File:H2_williams_12.cti]
		+
		+
		+	Reference:
		+	P. Boivin, C. Jiménez, A.L. Sánchez, F.A. Williams,
		+	An explicit reduced mechanism for H2–air combustion,
		+	Proceedings of the Combustion Institute,
		+	Volume 33, Issue 1,
		+	2011,
		+	Pages 517-523,
		+	ISSN 1540-7489,
		+	https://doi.org/10.1016/j.proci.2010.05.002.
		+	(http://www.sciencedirect.com/science/article/pii/S1540748910000039)

	= Transport and thermodynamic properties used for this Step =		= Transport and thermodynamic properties used for this Step =

@@ Line 3: / Line 3: @@
 The purpose of this configuration is to perform a simulation similar to '''Step 2''' but involving now a '''mixture of different gaseous species''' at different temperatures, still '''without any chemical reaction'''.
 In this manner, it is possible to assess the accuracy of the numerical models involved in the description of species and heat diffusion
-The thermodynamic and transport properties of the 9 species kinetic scheme of Boivin et al.<ref name="Boivin2011">P. Boivin, C. Jiménez, A.L. Sanchez, and F.A. Williams. An explicit reduced mechanism for H2-air combustion. Proc. Combust. Inst., 33:517–523, 2011.</ref> should be used in preparation for the next step, even though the reactions are still neglected here.
+The thermodynamic and transport properties of the 9 species kinetic scheme of Boivin et al.<ref name="Boivin2011"/> should be used in preparation for the next step, even though the reactions are still neglected here.
 It should be noted that in this case, the '''density is variable''' in both '''space''' and '''time''' due to the changing composition, which was not the case in the previous step: this induces additional numerical difficulties that must be taken into account.
@@ Line 43: / Line 43: @@
 However, for the present simulation, the reaction source terms are all still set to zero, as already mentioned: only '''convection''' and '''diffusion processes''' are considered.
 In order to enable benchmark computations also with '''DNS codes''' that do not provide advanced diffusion models, only constant values of the Lewis numbers are considered; for the same reason, thermodiffusion (Soret effect) is neglected on purpose (though it would be obviously relevant for such cases involving hydrogen as a fuel).
-The authors are fully aware that this is a crude approximation of reality<ref name="pecs">R. Hilbert, F. Tap, H. El-Rabii, and D. Thévenin. Impact of detailed chemistry and transport models on turbulent combustion simulations. Prog. Energ. Combust. Sci., 30:61–117, 2004.</ref>. But it must be kept in mind that the focus is set here on the detailed comparison between different codes and algorithms, and not on the resulting flow or flame structure.
+The authors are fully aware that this is a crude approximation of reality<ref name="pecs"/>. But it must be kept in mind that the focus is set here on the detailed comparison between different codes and algorithms, and not on the resulting flow or flame structure.
 Hence, in this and in the next section, the values of the '''Lewis number''' for each species given in the table below shall be used to enable direct comparisons.
 These values have been estimated from a separate DNS for a similar configuration using the mixture-averaged diffusion model.