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If the concentration of a reactant remains constant (because it is a catalyst, or because it is in great excess with respect to the other reactants), its concentration can be included in the rate constant, leading to a pseudo–first-order (or occasionally pseudo–second-order) rate equation. For a typical second-order reaction with rate ...
This has the same form as an equation for a straight line: = +, where x is the reciprocal of T. So, when a reaction has a rate constant obeying the Arrhenius equation, a plot of ln k versus T −1 gives a straight line, whose slope and intercept can be used to determine E a and A respectively. This procedure is common in experimental chemical ...
Since the reaction rate determines the reaction timescale, the exact formula for the Damköhler number varies according to the rate law equation. For a general chemical reaction A → B following the Power law kinetics of n-th order, the Damköhler number for a convective flow system is defined as: = where: k = kinetics reaction rate constant ...
In fact, however, the observed reaction rate is second-order in NO 2 and zero-order in CO, [5] with rate equation r = k[NO 2] 2. This suggests that the rate is determined by a step in which two NO 2 molecules react, with the CO molecule entering at another, faster, step. A possible mechanism in two elementary steps that explains the rate ...
Then the Thiele modulus for a first order reaction is: = From this relation it is evident that with large values of , the rate term dominates and the reaction is fast, while slow diffusion limits the overall rate. Smaller values of the Thiele modulus represent slow reactions with fast diffusion.
where A and B are reactants C is a product a, b, and c are stoichiometric coefficients,. the reaction rate is often found to have the form: = [] [] Here is the reaction rate constant that depends on temperature, and [A] and [B] are the molar concentrations of substances A and B in moles per unit volume of solution, assuming the reaction is taking place throughout the volume of the ...
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The zero-order energy is the sum of orbital energies. The first-order energy is the Hartree–Fock energy and electron correlation is included at second-order or higher. Calculations to second, third or fourth order are very common and the code is included in most ab initio quantum chemistry programs.