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MUSCLES Modelling of Un s teady Combustion in Low Emission Systems

MUSCLES Modelling of Un s teady Combustion in Low Emission Systems. G4RD-CT-2002-00644 R&T P roject within the 5 th Framework P rogram of the European Union. Time Dependent Numerical Prediction of the Reactive Flow Field Within and Downstream an Avio LPP System.

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MUSCLES Modelling of Un s teady Combustion in Low Emission Systems

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  1. MUSCLESModelling of Unsteady Combustion in Low Emission Systems G4RD-CT-2002-00644 R&T Project within the 5th Framework Program of the European Union

  2. Time Dependent Numerical Prediction of the Reactive Flow Field Within and Downstream an Avio LPP System

  3. COMPUTATIONAL GRIDS : Nozzle-Duct C05D Premixer Nozzle-Duct Premixer Grid type: Structured-Multiblock N° of total Blocks 175 Azim. angle: 360.0° N° of total cells: 225000

  4. COMPUTATIONAL GRID : Nozzle-Duct C05D Premixer & Experimental Test Rig Experimental Test Rig Zmax =158.5 mm - Xmax =53.8 mm - Ymax =53.8 mm Numerical Test Rig Grid type: Structured-Multiblock N° of total Blocks: 203 Geometry: Fully 3D° N° of total cells: 994000 Boundary Conditions Mass Flow : 0.1405 kg/s Static Temperature Inlet : 760 K Static Pressure Outlet : 650000 Pa

  5. COMPUTATIONAL CASES : Nozzle-Duct C05D Premixer Numerical Boundary Conditions - Case N° 1 - Turbulence Model : TSDIA Combustion Scheme : Standard Radiation Scheme : Off - Case N° 2- Turbulence Model : TSDIA Combustion Scheme : Standard Radiation Scheme :On - Case N° 3 - Turbulence Model : TSDIA Combustion Scheme :Detailed Radiation Scheme : Off - Case N° 4 - Turbulence Model : TSDIA Combustion Scheme : Detailed Radiation Scheme :Off Boundary Conditions AIR Total Pressure Inlet : 650000 Pa Total Temperature Inlet : 760 K Total Air Mass Flow Inlet : 0.1405 Kg/s Boundary Conditions FUEL Fuel : Kerosene Liquid [C12H23] Fuel Mass Flow Inlet : 0.005518 Kg/s Total Temperature Inlet : 380 K Droplets Diameters : 40  Cone Angle : 50° Droplets Velocity : 50 m/s

  6. COMBUSTION MODELS STANDARD Model : 12 Species - 12 Reactions Species : CH12H23 - O2 - N2 - OH - H2 - O - H2O - CO -CO2 - N - H - NO DC* Model : 41 Species - 225 Reactions Species : C12H23 - CH4 - O2 - N2 - OH - H2 - O - H2O - CO -CO2 - N - H - NO - CH3OCH3 - HO2 - H2O2 - C2H - C2H2 - C(S) - CH2O - HCO - CH3O - CH3OH - CH2OH - CH3 - CH2 - HCOOH - C2H3 - C2H4 - C2H5 - C2H6 - C3H3 - C4H2 - N2O - CH - CH2(S) - C3H2 - C3H6 - CH3CO - CH3HCO - CH2CO DC*: Detailed Chemistry

  7. STANDARD REACTIONS MECHANISM 1. 2C12H23+ 12O2= 24CO+ 23H2 2. O2+ 2N2= 2N+ 2NO 3. 2O2+ N2= 2O+ 2NO 4. N2+2OH=CO2+H 5.CO+ OH= CO2+ H 6. O2+ H= O+ OH 7. H2+ OH= H2O+ H 8. H2+ O= H+ OH 9. H2= 2H 10. O2 =2O 11. N2=2N 12. O2 + H2= 2OH 13. O2+2H2O=4OH

  8. DETAILED REACTIONS MECHANISM - 1 22. CH3 + CH3 = C2H4 + H2 23. CH3 + M = CH2 + H + M 24. CH3 + HCO = CH2 + CH2O 25. CH2 + H2 = CH3 + H 26. CH2 + CH3 = C2H4 + H 27. CH2 + OH = CH + H2O 28. CH2 + OH = CH2O + H 29. CH2 + CH2 = C2H2 + H2 30. CH2 + HCCO = C2H3 + CO 31. CH2 + O = CO + H + H 32. CH2 + O = HCO + H 33. CH2 + O2 = CO2 + H + H 34. CH2 + O2 = CH2O + O 35. CH2 + O2 = CO2 + H2 36. CH2 + O2 = HCO + OH 37. CH2(S) + CH3 = C2H4 + H 38. CH2(S) + H2 = CH3 + H 39. CH2(S) + CH4 = CH3 + CH3 40. CH2(S) + C2H6 = CH3 + C2H5 41. CH2(S) + C2H2 = C3H3 + H 42. CH2(S) + N2 = CH2 + N2 0. CH12H23 + O2 = C12H22-1 + HO2 1. CH4 + O2 = CH3 + HO2 2. CH4 + H = CH3 + H2 3. CH4 + OH = CH3 + H2O 4. CH4 + O = CH3 + OH 5. CH4 + HO2 = CH3 + H2O2 6. CH3 + HO2 = CH3O + OH 7. CH3 + O2 = CH3O + O 8. CH3 + O2 = CH2O + OH 9. CH3 + CH2O = CH4 + HCO 10. CH3 + HCO = CH4 + CO 11. CH3 + O = CH2O + H 12. CH3 + OH = CH2 + H2O 13. CH3 + OH = CH2O + H2 14. CH3 + H = CH4 15. CH3 + CH3 = C2H6 16. CH3 + CH3O = CH4 + CH2O 17. CH3 + CH2OH = CH4 + CH2O 18. CH3 + C2H5 = CH4 + C2H4 19. CH3 + C2H4 = CH4 + C2H3 20. CH3 + C2H3 = CH4 + C2H2 21. CH3 + C2H2 = CH4 + C2H

  9. DETAILED REACTIONS MECHANISM - 2 65. CH + O = CO + H 66. CH + OH = HCO + H 67. CH + CO2 = HCO + CO 68. CH + H2O = CH2O + H 69. CH + CH2O = CH2CO + H 70. CH + C2H2 = C3H2 + H 71. CH + CH2 = C2H2 + H 72. CH + CH3 = C2H3 + H 73. CH + CH4 = C2H4 + H 74. CH2O + OH = HCO + H2O 75. CH2O + H = HCO + H2 76. CH2O + M = HCO + H + M 77. CH2O + O = HCO + OH 78. CH2O + O2 = HCO + HO2 79. CH2O + HO2 = HCO + H2O2 80. CH2O + HO2 = HCOOH + OH 81. HCOOH + H = H + CO2 + H2 82. HCOOH + O = H + CO2 + OH 83. HCOOH + OH = H + CO2 + H2O 84. HCOOH + HO2 = H2O2 + CO2 + H 85. HCOOH + CH3 = CH4 + CO2 + H 86. HCOOH + CH3OCH2 = CH3OCH3 + CO2 + H 43. CH2(S) + AR = CH2 + AR 44. CH2(S) + CO2 = CH2 + CO2 45. CH2(S) + CO2 = CH2O + CO 46. CH2(S) + H2O = CH2 + H2O 47. CH2(S) + O2 = CO + OH + H 48. CH2(S) + O2 = CO + H2O 49. CH2(S) + H = CH + H2 50. CH2(S) + O = CO + H2 51. CH2OH + H = CH3 + OH 52. CH3O + H = CH3 + OH 53. CH3O + M = CH2O + H + M 54. CH2OH + M = CH2O + H + M 55. CH3O + H = CH2O + H2 56. CH2OH + H = CH2O + H2 57. CH3O + OH = CH2O + H2O 58. CH2OH + OH = CH2O + H2O 59. CH3O + O = CH2O + OH 60. CH2OH + O = CH2O + OH 61. CH3O + O2 = CH2O + HO2 62. CH2OH + O2 = CH2O + HO2 63. CH + H2 = H + CH2 64. CH + O2 = HCO + O

  10. DETAILED REACTIONS MECHANISM - 3 87. HCO + OH = H2O + CO 88. HCO + H2O = H + CO + H2O 89. HCO + M = H + CO + M 90. HCO + H = CO + H2 91. HCO + O = CO + OH 92. HCO + O = CO2 + H 93. HCO + O2 = HO2 + CO 94. HCO + HCO = CH2O + CO 95. HCO + HCO = H2 + CO + CO 96. CO + O + M = CO2 + M 97. CO + OH = CO2 + H 98. CO + O2 = CO2 + O 99. CO + HO2 = CO2 + OH 100. C2H6 + CH3 = C2H5 + CH4 101. C2H6 + H = C2H5 + H2 102. C2H6 + O = C2H5 + OH 103. C2H6 + OH = C2H5 + H2O 104. C2H4 + H = C2H3 + H2 105. C2H4 + O = CH3 + HCO 106. C2H4 + OH = C2H3 + H2O 107. C2H4 + HO2 = CH3HCO + OH 108. C2H4 + CH3O = CH3HCO + CH3 109. C2H4 + CH3O2 = CH3HCO + CH3O 110. C2H3 + OH = CH3HCO 111. C2H4 + H = C2H5 112. C2H5 + H = CH3 + CH3 113. C2H5 + O2 = C2H4 + HO2 114. C2H2 + O = CH2 + CO 115. C2H + H2 = C2H2 + H 116. C2H3 = C2H2 + H 117. C2H3 + H = C2H2 + H2 118. C2H3 + O = CH2CO + H 119. C2H3 + O2 = CH2O + HCO 120. C2H3 + O2 = C2H2 + HO2 121. C2H3 + OH = C2H2 + H2O 122. C2H3 + CH2 = C2H2 + CH3 123. C2H3 + C2H = C2H2 + C2H2 124. C2H3 + CH = CH2 + C2H2 125. C2H2 + OH = C2H + H2O 126. C2H2 + OH = CH2CO + H 127. C2H2 + OH = CH3 + CO 128. C2H2 + O = C2H + OH 129. CH2CO + O = CO2 + CH2 130. CH2CO + O = HCO + HCO

  11. DETAILED REACTIONS MECHANISM - 4 131. CH2CO + H = CH3 + CO 132. CH2CO + M = CH2 + CO + M 133. C2H + O2 = CO + CO + H 134. C2H + O = CH + CO 135. C3H3 + O2 = CH2CO + HCO 136. C3H3 + O = CH2O + C2H 137. C2H2 + O2 = HCCO + OH 138. C2H2 + M = C2H + H + M 139. C2H4 + M = C2H2 + H2 + M 140. H2 + O2 = OH + OH 141. H2 + OH = H2O + H 142. O + OH = O2 + H 143. O + H2 = OH + H 144. H + O2 + M = HO2 + M 145. H + O2 + AR = HO2 + AR 146. OH + HO2 = H2O + O2 147. H + HO2 = OH + OH 148. O + HO2 = O2 + OH 149. H2 + HO2 = H2O + OH 150. OH + OH = O + H2O 151. H + H + M1 = H2 + M1 152. H + H + H2 = H2 + H2 153. H + H + H2O = H2 + H2O 154. H + H + CO2 = H2 + CO2 155. H + OH + M = H2O + M 156. H + O + M = OH + M 157. O + O + M = O2 + M 158. H + HO2 = H2 + O2 159. HO2 + HO2 = H2O2 + O2 160. H2O2 + M = OH + OH + M 161. H2O2 + H = HO2 + H2 162. H2O2 + OH = H2O + HO2 163. H + HO2 = O + H2O 164. O + OH + M = HO2 + M 165. H2O2 + H = H2O + OH 166. H2O2 + O = H2O + O2 167. H2O2 + O = OH + HO2 168. CH3CO + H = CH2CO + H2 169. CH3CO + O = CH3 + CO2 170. CH3CO + CH3 = C2H6 + CO 171. CH3CO = CH3 + CO 172. C2H6 + O2 = C2H5 + HO2 173. C2H4 + O2 = C2H3 + HO2 174. C2H5 + HO2 = C2H4 + H2O2 175. CH3OH = CH2OH + H 176. CH3OH = CH3O + H 177. CH3OH = CH3 + OH 178. CH3OH + O2 = CH2OH + HO2

  12. DETAILED REACTIONS MECHANISM - 5 179. CH3OH + H = CH2OH + H2 180. CH3OH + H = CH3O + H2 181. CH3OH + O = OH + CH2OH 182. CH3OH + O = OH + CH3O 183. CH3OH + OH = CH2OH + H2O 184. CH3OH + OH = CH3O + H2O 185. CH3OH + HO2 = CH2OH + H2O2 186. CH3OH + CH3 = CH2OH + CH4 187. CH3OH + CH3 = CH3O + CH4 188. CH3OH + CH3O = CH3OH + CH2OH 189. CH3O + CH3O = CH3OH + CH2O 190. CH2OH + CH2OH = CH3OH + CH2O 191. CH2OH + HCO = CH3OH + CO 192. CH3HCO = CH3 + HCO 193. CH3HCO = CH3CO + H 194. CH3HCO + O2 = CH3CO + HO2 195. CH3HCO + H = CH3CO + H2 196. CH3HCO + OH = CH3CO + H2O 197. CH3HCO + O = CH3CO + OH 198. CH3HCO + CH3 = CH3CO + CH4 199. CH3HCO + HO2 = CH3CO + H2O2 200. CH3OCH3 = CH3+CH3O 201. C3H3 + OH = C3H2 + H2O 202. C2H6 + CH = H + C3H6 203. C3H6 + O = CH3CO + CH3 204. C3H6 + O = C2H5 + HCO 205. CH3 + C2H3 = C3H6 206. C2H6 + O2 = C2H5 + HO2 207. C2H4 + O2 = C2H3 + HO2 208. C2H5 + HO2 = C2H4 + H2O2 209. C3H6 + O = CH2O + C2H4 210. C3H6 + OH = CH3 + CH3HCO 211. C3H6 + OH = C2H5 + CH2O 312. C3H3 + C3H3 = C6H5 + H 213. C(S) + O2 = O + CO 214. C(S) + CH3 = H + C2H2 215. C(S) + OH = CO + H 216. C(S) + NO = CO + N 217. N + CO2 = NO + CO 218. N2 + O = NO + N 219. N + O2 = NO + O 220. NO + M = N + O + M 221. NO + NO = N2 + O2 222. N2O + M = N2 + O + M 223. N2O + O = N2 + O2 224. N2O + O = NO + NO 225. N2O + N = N2 + NO

  13. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer - Case N° 1 - Boundary Conditions AIR Total Pressure Inlet : 650000 Pa Total Temperature Inlet : 760 K Air Mass Flow Inlet : 0.1405 Kg/s Boundary Conditions FUEL Fuel : Kerosene Liquid [C12H23] Fuel Mass Flow Inlet : 0.005518 Kg/s Total Temperature Inlet : 380 K Droplets Diameters : 80  Cone Angle : 50° Droplets Velocity : 50 m/s Solver Setup Combustion Model : Standard Turbulence Model : TSDIA Radiation Model : OFF

  14. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of CO2 [Mass Fraction] Contours of H2O [Mass Fraction] Contours of OH [Mass Fraction] Contours of NO [Mass Fraction]

  15. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Fuel Gas Mass Source [Kg/s] Contours of Static Temperature [°K] Contours of Turb. Kin. Energy [m2/s2] Contours of Velocity Magnitude [m/s]

  16. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer - Case N° 2 - Boundary Conditions AIR Total Pressure Inlet : 650000 Pa Total Temperature Inlet : 760 K Air Mass Flow Inlet : 0.1405 Kg/s Boundary Conditions FUEL Fuel : Kerosene Liquid [C12H23] Fuel Mass Flow Inlet : 0.005518 Kg/s Total Temperature Inlet : 380 K Droplets Diameters : 80  Cone Angle : 50° Droplets Velocity : 50 m/s Solver Setup Combustion Model : Standard Turbulence Model : TSDIA Radiation Model : ON Wall Temperature : 600 K Emissivity : 0.8

  17. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of CO2 [Mass Fraction] Contours of H2O [Mass Fraction] Contours of OH [Mass Fraction] Contours of NO [Mass Fraction]

  18. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Fuel Gas Mass Source [Kg/s] Contours of Static Temperature [°K] Contours of Turb. Kin. Energy [m2/s2] Contours of Velocity Magnitude [m/s]

  19. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer - Case N° 3 - Boundary Conditions AIR Total Pressure Inlet : 650000 Pa Total Temperature Inlet : 760 K Air Mass Flow Inlet : 0.1405 Kg/s Boundary Conditions FUEL Fuel : Kerosene Liquid [C12H23] Fuel Mass Flow Inlet : 0.005518 Kg/s Total Temperature Inlet : 380 K Droplets Diameters : 80  Cone Angle : 50° Droplets Velocity : 50 m/s Solver Setup Combustion Model : Detailed Mechanism Turbulence Model : TSDIA Radiation Model : OFF

  20. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of CO2 [Mass Fraction] Contours of H2O [Mass Fraction] Contours of OH [Mass Fraction] Contours of NO [Mass Fraction]

  21. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Fuel Gas Mass Source [Kg/s] Contours of Static Temperature [°K] Contours of Turb. Kin. Energy [m2/s2] Contours of Velocity Magnitude [m/s]

  22. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer - Case N° 4 - Boundary Conditions AIR Total Pressure Inlet : 650000 Pa Total Temperature Inlet : 760 K Air Mass Flow Inlet : 0.1405 Kg/s Boundary Conditions FUEL Fuel : Kerosene Liquid [C12H23] Fuel Mass Flow Inlet : 0.005518 Kg/s Total Temperature Inlet : 380 K Droplets Diameters : 80  Cone Angle : 50° Droplets Velocity : 50 m/s Solver Setup Combustion Model : Detailed Mechanism Turbulence Model : TSDIA Radiation Model : ON Wall Temperature : 600 K Emissivity : 0.8

  23. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of CO2 [Mass Fraction] Contours of H2O [Mass Fraction] Contours of OH [Mass Fraction] Contours of NO [Mass Fraction]

  24. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Fuel Gas Mass Source [Kg/s] Contours of Static Temperature [°K] Contours of Turb. Kin. Energy [m2/s2] Contours of Velocity Magnitude [m/s]

  25. COMPUTATIONAL CASE : Particle Traces Coloured by Static Temperature [K] Case 1 : STD Mechanism - Radiation OFF Case 2 : STD Mechanism - Radiation ON Case 1 : DC Mechanism - Radiation OFF Case 2 : DC Mechanism - Radiation ON

  26. COMPUTATIONAL CASE : Static Temperature [K] Case 1 : STD Mechanism - Radiation OFF Case 2 : STD Mechanism - Radiation ON Case 1 : DC Mechanism - Radiation OFF Case 2 : DC Mechanism - Radiation ON

  27. Transient Performance Method : Function Functional Design Values TPM Modified Functional Design Values Iterations

  28. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer - Case N° 5 - Boundary Conditions AIR Total Pressure Inlet : 650000 Pa Total Temperature Inlet : 760 K Air Mass Flow Inlet : 0.1405 Kg/s Boundary Conditions FUEL Fuel : Kerosene Liquid [C12H23] Fuel Mass Flow Inlet : 0.005518 Kg/s Total Temperature Inlet : 298 K [Old value 380 K] Droplets Diameters : 80  Cone Angle : 40°[Old Value 50°] Droplets Velocity : 65 m/s [Old Value 50 m/s] Solver Setup Combustion Model : Detailed Mechanism Turbulence Model : TSDIA Radiation Model : ON Wall Temperature : 600 K Emissivity : 0.8

  29. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Fuel Mass Source [Kg/s] Contours of Static Temperature [°K] Contours of Turb. Kin. Energy [m2/s2] Contours of Velocity Magnitude [m/s]

  30. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of HCO [Mass Fraction] Contours of HCOOH [Mass Fraction] Contours of HO2 [Mass Fraction] Contours of N2O [Mass Fraction]

  31. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of CO [Mass Fraction] Contours of CO2 [Mass Fraction] Contours of H2O [Mass Fraction] Contours of H2O2 [Mass Fraction]

  32. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of C2H [Mass Fraction] Contours of CH [Mass Fraction] Contours of CH2 [Mass Fraction] Contours of CH2S [Mass Fraction]

  33. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of NO [Mass Fraction] Particle Traces Coloured by Static Temperature [°K] Contours of OH [Mass Fraction]

  34. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of NO [Mass Fraction]

  35. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of OH [Mass Fraction]

  36. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Static Temperature [°K]

  37. COMPUTATIONAL CASE : Nozzle-Duct C05D Premixer Contours of Velocity Magnitude [m/s]

  38. FROM COMPUTATIONAL CASES TO EMISSION DATA SETS \

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