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HW3ME525SP2011

HW3ME525SP2011 - 1 ME 525 Homework#3 Due Thursday Prof...

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1 ME 525 Homework #3 Due Thursday, February 17, 2011 Prof. Lucht (E-mail address: [email protected]) 1. The CHEMKIN code was used to perform a calculation for constant-volume combustion of a mixture of 20% H 2 , 8%O 2 , and 72% N 2 (on a molar basis) at an initial temperature of 900 K and pressure of 0.8 atm. A time step of 5.0e-06 sec (0.001 ms) was used and the total calculation time was 4.0e-03 sec (4 ms). The results of the calculation are contained in an Excel file on the class website (CHEMKINDataHW3P1StudentVersion.xlsx). (a) Using the results of the CHEMKIN calculation and the data from the H-O-N kinetic mechanism from Example 6.3 on pp. 195-196 in the text, evaluate the applicability of the partial equilibrium assumption for the following two reactions at times of 1.90 and 1.98 ms: 2 2 2 1 2 (1) (2) k H O O OH k OH H H H O   The following curve fit expressions for Gibbs free energies of formation may be useful: 2 0 2 , 0 2 , 0 2 , 0 2 , 221,290 55.172 0.0010263 251,230 63.254 0.0007315 38,742 15.636 0.00042668 245,370 52.615 0.0010741 f H f O f OH f H O J g T T T gmol J g T T T gmol J g T T T gmol J g T T T gmol   Answer: partial equilibrium holds at 1.98 ms, not at 1.90 ms.
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