ex_rober: Autocatalytic Chemical Reaction of Robertson, ODE

In deTestSet: Test Set for Differential Equations

Autocatalytic Chemical Reaction of Robertson, ODE

Description

Describes the kinetics of an autocatalytic reation.

It is an ODE, 3 equations

Usage

rober  (times = 10^(seq(-5, 11, by = 0.1)), yini = NULL, 
        parms = list(), printmescd = TRUE,   
        atol = 1e-14, rtol = 1e-10, maxsteps = 1e5, ...)  

Arguments

yini	the initial (state) values for the DE system. If y has a name attribute, the names will be used to label the output matrix.
times	time sequence for which output is wanted; the first value of times must be the initial time.
parms	list of parameters that overrule the default parameter values
atol	absolute error tolerance, either a scalar or a vector, one value for each y.
rtol	relative error tolerance, either a scalar or a vector, one value for each y,
maxsteps	maximal number of steps per output interval taken by the solver
printmescd	if TRUE the mixed error significant digits computed using the reference solution at time 1e13 are printed
...	additional arguments passed to the solver .

Details

The default parameters are: k1 = 0.04, k2 = 3e7, k3 = 1e4

Value

A matrix of class deSolve with up to as many rows as elements in times and as many columns as elements in yini, plus an additional column (the first) for the time value.

There will be one row for each element in times unless the solver returns with an unrecoverable error. If yini has a names attribute, it will be used to label the columns of the output value.

Note

This model is implemented in R

Author(s)

Karline Soetaert <[e-mail]>

Francesca Mazzia

References

http://archimede.dm.uniba.it/~testset

Examples

out <- rober()
plot(out, lwd = 2, log = "x")

# compare to reference solution
out[nrow(out),-1] - reference("rober")

deTestSet documentation built on Dec. 10, 2023, 3:04 a.m.