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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. Curve fitting - Wikipedia

    en.wikipedia.org/wiki/Curve_fitting

    Polynomial curves fitting points generated with a sine function. The black dotted line is the "true" data, the red line is a first degree polynomial, the green line is second degree, the orange line is third degree and the blue line is fourth degree. The first degree polynomial equation = + is a line with slope a. A line will connect any two ...

  5. 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 ...

  6. 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 ...

  7. Chemical kinetics - Wikipedia

    en.wikipedia.org/wiki/Chemical_kinetics

    Chemical kinetics, also known as reaction kinetics, is the branch of physical chemistry that is concerned with understanding the rates of chemical reactions. It is different from chemical thermodynamics, which deals with the direction in which a reaction occurs but in itself tells nothing about its rate.

  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. 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 ...