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1) Use the hard sphere collision theory to calculate the A factor for the elementary reaction NO+O3→NO2+O2 at 298, 500, and 1000 K. Calculate the steric factor when the experimental A factor is 8 x 1011 cm3 mol-1 s -1 at 500 K. 2) The activation energy Ea can be defined from the Arrhenius expression as: 𝐸𝑎 = 𝑘𝑇 2 𝜕 ln 𝑘(𝑇) 𝜕𝑇 Use the following equation: 𝑘(𝑇) = 𝜋𝑏𝑚𝑎𝑥 2 𝑣𝑟 exp (− 𝜖 ∗ 𝑘𝑇) To show Ea=1/2 kT+ϵ*. What is the error when taking Ea= ϵ* for the first three reactions of Table 2.2 (Chemical Kinetics and Reaction Dynamics, P.L. Houston) at T in the middle of the temperature range. 3) The most accurate calculation of the H3 potential-energy surface in the region of the saddle point gives a barrier height of 9.6 kcal/mol with a linear transition state with bond distances of 𝑅𝑎𝑏 ǂ = 𝑅𝑏𝑐 ǂ = 0.83Å. The vibrational wavenumbers of the DH2 complex are 1664 cm-1 (symmetric stretching) and 870 cm-1 (degenerate bending). The bond length and vibrational wavenumber of H2 are 0.741 Å and 4300 cm-1 , respectively. Calculate the rate constant for D+H2→DH+H at 450 K.

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Chemical Engineering Questions
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