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Unformatted text preview: 7.1. ISOTHERMAL, ISOCHORIC KINETICS 261 LBracket1 NO RBracket1 LBracket1 N RBracket1 10 Minus 11 10 Minus 9 10 Minus 7 10 Minus 5 0.001 0.1 10 t LParen1 s RParen1 10 Minus 12 10 Minus 10 10 Minus 8 10 Minus 6 LBracket1 N RBracket1 , LBracket1 NO RBracket1 LParen1 mole Slash1 cc RParen1 Figure 7.10: ρ NO and ρ N versus time for Zel’dovich mechanism at T = 1500 K , P = 6 . 23550 × 10 5 dyne/cm 2 . 7.1.2.2 Stiffness, time scales, and numerics One of the key challenges in computational chemistry is accurately predicting species concen tration evolution with time. The problem is made difficult because of the common presence of physical phenomena which evolve on a widely disparate set of time scales. Systems which evolve on a wide range of scales are known as stiff, recognizing a motivating example in massspringdamper systems with stiff springs. Here we will examine the effect of tempera ture and pressure on time scales and stiffness. We shall also look simplistically how different numerical approximation methods respond to stiffness.numerical approximation methods respond to stiffness....
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This note was uploaded on 11/26/2011 for the course EGN 3381 taught by Professor Parksou during the Fall '11 term at FSU.
 Fall '11
 ParkSou
 Dynamics

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