optimize in very small values
Troels Ring wrote:
I hope you will forgive me this simple question on titration.
I'm trying to find very small values from the algorithm below, which I
believe is
correctly formatted, and the constants are also correct. When SID goes
over ATOT, fitted vales are
much too low compared to the literature. I guess I must be using
optimize in a wrong way but cannot find out how to improve it. I'm on
windows, R 2.0. Best wishes
Troels Ring, Aalborg
ATOT <- 0.019
KA <- 3e-7
KW <- 4.4e-14
SID <- 0.01
ff <- function(H,KA,SID,ATOT)
{H^3 + (KA+SID)*H^2+(KA*(SID-ATOT)-KW)*H- KA*KW}
-log10(optimize(ff,c(0,.1),tol=.Machine$double.eps,KA=KA,SID=SID,ATOT=ATOT)$minimum)
Well, whether the usage is appropriate depends on the problem. At least I have not understood what you are going to minimize... Uwe Ligges
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