rober: 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, ...)

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.

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 .

Author

Karline Soetaert <karline.soetaert@nioz.nl>

Francesca Mazzia

Details

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

References

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

Examples

Run this code

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

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

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