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  2. Rate equation - Wikipedia

    en.wikipedia.org/wiki/Rate_equation

    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 ...

  3. Order of approximation - Wikipedia

    en.wikipedia.org/wiki/Order_of_approximation

    First-order approximation is the term scientists use for a slightly better answer. [3] Some simplifying assumptions are made, and when a number is needed, an answer with only one significant figure is often given ("the town has 4 × 10 3, or four thousand, residents"). In the case of a first-order approximation, at least one number given is exact.

  4. Rate-determining step - Wikipedia

    en.wikipedia.org/wiki/Rate-determining_step

    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 ...

  5. Numerical methods for ordinary differential equations - Wikipedia

    en.wikipedia.org/wiki/Numerical_methods_for...

    For example, the second-order equation y′′ = −y can be rewritten as two first-order equations: y′ = z and z′ = −y. In this section, we describe numerical methods for IVPs, and remark that boundary value problems (BVPs) require a different set of tools. In a BVP, one defines values, or components of the solution y at more than one ...

  6. Transition state theory - Wikipedia

    en.wikipedia.org/wiki/Transition_state_theory

    Using the Eyring equation, there is a straightforward relationship between ΔG ‡, first-order rate constants, and reaction half-life at a given temperature. At 298 K, a reaction with ΔG ‡ = 23 kcal/mol has a rate constant of k ≈ 8.4 × 10 −5 s −1 and a half life of t 1/2 ≈ 2.3 hours, figures that are often rounded to k ~ 10 −4 s ...

  7. Continuous stirred-tank reactor - Wikipedia

    en.wikipedia.org/wiki/Continuous_stirred-tank...

    Plugging in the first CSTR equation to the second: = (+) Therefore for m identical CSTRs in series: C A m = C A o ( 1 + k τ ) m {\displaystyle C_{Am}={\frac {C_{Ao}}{(1+k\tau )^{m}}}} When the volumes of the individual CSTRs in series vary, the order of the CSTRs does not change the overall conversion for a first order reaction as long as the ...

  8. Order of accuracy - Wikipedia

    en.wikipedia.org/wiki/Order_of_accuracy

    Consider , the exact solution to a differential equation in an appropriate normed space (, | | | |). Consider a numerical approximation u h {\displaystyle u_{h}} , where h {\displaystyle h} is a parameter characterizing the approximation, such as the step size in a finite difference scheme or the diameter of the cells in a finite element method .

  9. MUSCL scheme - Wikipedia

    en.wikipedia.org/wiki/MUSCL_scheme

    Thus, the accuracy of a TVD discretization degrades to first order at local extrema, but tends to second order over smooth parts of the domain. The algorithm is straight forward to implement. Once a suitable scheme for F i + 1 / 2 ∗ {\displaystyle F_{i+1/2}^{*}} has been chosen, such as the Kurganov and Tadmor scheme (see below), the solution ...