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For a typical second-order reaction with rate equation = [] [], if the concentration of reactant B is constant then = [] [] = ′ [], where the pseudo–first-order rate constant ′ = []. The second-order rate equation has been reduced to a pseudo–first-order rate equation, which makes the treatment to obtain an integrated rate equation much ...
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The first row of coefficients at the bottom of the table gives the fifth-order accurate method, and the second row gives the fourth-order accurate method. This shows the computational time in real time used during a 3-body simulation evolved with the Runge-Kutta-Fehlberg method.
Unlike more common pseudo-first-order analysis, in which an overwhelming excess of one or more reagents is used relative to a species of interest, RPKA probes reactions at synthetically relevant conditions (i.e. with concentrations and reagent ratios resembling those used in the reaction when not exploring the rate law.)
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 ...
The first Dahlquist barrier states that a zero-stable and linear q-step multistep method cannot attain an order of convergence greater than q + 1 if q is odd and greater than q + 2 if q is even. If the method is also explicit, then it cannot attain an order greater than q (Hairer, Nørsett & Wanner 1993, Thm III.3.5).
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 ...
Spectral methods can be used to solve differential equations (PDEs, ODEs, eigenvalue, etc) and optimization problems. When applying spectral methods to time-dependent PDEs, the solution is typically written as a sum of basis functions with time-dependent coefficients; substituting this in the PDE yields a system of ODEs in the coefficients ...