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## =============================================================================
##
## Rober problem, chemical pyrolysis
##
## This code is derived from the Test Set for IVP solvers
## http://www.dm.uniba.it/~testset/
## ODE of dimension 3
##
## =============================================================================
rober <- function(times = 10^(seq(-5, 11, by = 0.1)), yini = NULL,
parms = list(), printmescd = TRUE,
atol = 1e-14, rtol = 1e-10, maxsteps = 1e5, ...) {
### derivative function
Rober <- function(t,y,parms) {
with (as.list(parms), {
dy1<- -k1*y[1] + k3*y[2]*y[3]
dy2<- k1*y[1] - k2*y[2]*y[2] - k3*y[2]*y[3]
dy3<- k2*y[2]*y[2]
list(c(dy1,dy2,dy3))
})
}
### check input
parameter <- c(k1=0.04, k2=3e7, k3=1e4)
parameter <- overrulepar(parameter, parms, 3)
if (is.null(yini)) yini <- c(1,0,0)
checkini(3, yini)
prob <- roberprob()
### solve
out <- ode(func=Rober, parms=parameter, y = yini, times=times,
atol=atol, rtol=rtol, maxsteps=maxsteps, ...)
### print mescd
if(printmescd)
out <- printpr (out, prob, "rober", rtol, atol)
return(out)
}
roberprob <- function(){
fullnm <- 'Problem ROBERTSON'
problm <- 'rober'
type <- 'ODE'
neqn <- 3
t <- matrix(1,2)
t[1] <- 0
t[2] <- 1e11
numjac <- FALSE
mljac <- neqn
mujac <- neqn
return(list(fullnm=fullnm, problm=problm,type=type,neqn=neqn,
t=t,numjac=numjac,mljac=mljac,mujac=mujac))
}
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