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Isomerization: monomolecular reactions
  Solves numerically a set of ordinary differential equations as of an isomerization (monomolecular reactions) Under observation
2025.Feb.19 21:35:41
Initial values Initial values for compositions. •
Rate constants Kinetic rate constants, ki,j. •
ti, tf [time] Initial time, final time. •
h, npr Integration step and no. of print lines. •
.Points     No. of points in graph (if 0, all). •
Show values ? Shows the graph coordinates.

Models and solves numerically the kinetics of monomolecular (first order) reactions —a system described by a set of ODE's—, by a Runge-Kutta method.

The basis case is the isomerization of 4 resin acids typical in pine rosin (levopimaric, pimaric, neoabietic, abietic, respectively, or L P N A, regarding the data). It is, for i, j = 1..4:   −dyi ⁄ dt = (∑ j kij) yi + ∑ j ≠ i kji yj

(Suggested alternative data: 1 0.1 0.2 2, tf = 2)

References: Plate: Isomer

• [Smith, 2001(1995), Chap. 13, "Case studies", "Case study 8", p 122].

• 1893-02-03: Julia, Gaston Maurice (1978-03-19).

 
 
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Created: 2010-02-03 — Last modified: 2017-06-03