nucl.m: Probabilistic nucleation model parameter estimation from...

In flbourgeois/nucleation: Probabilistic Nucleation Model functions

Description

Probabilistic nucleation model parameter estimation from microfluidics data.
The function takes as input a 2-column data file (see Arguments) that gives the time (in seconds) and the fraction f0 of empty droplets.
Nucleation model parameters m, k0 and k are estimated by bootstrapping, where nboot is the number of boostrap samples.
Parameter estimation is performed by simulated annealing or Levenberg-Marquardt, using the GenSA and minpack.lm packages respectively.
It is recommended that the user uses the "SA" option initially with nboot=1, and then uses the output values of m, k0 and k as initialisation values for the "LM" estimation with nboot = 1000 typically.
The function outputs the results in filename_in_nboot.csv.

Usage

res <- nucl.m(1000, 100, m=0.2, k0=7e-6, k=2e-4, origin=c(0,1), filename_in="nucleation_example1", method="SA")

Arguments

nboot	Number of boostrap samples, typically 500 to 2000.Default=1000
npoints_interp	Number of points for continuous model display inside the experimental range. Default=100.
origin	= c(0, 1) if data must pass through origin (time=0, f0=1) ; Optional argument
m	Initialisation of nucleation parameter m
k0	Initialisation of nucleation parameter k0 (s-1)
k	Initialisation of nucleation parameter k (s-1)
filename_in	= name of entry data file, .csv extension. Entry data file should be EXACTLY like this: t;p 300;0.975 600;0.952 ...
method	= "SA" or "LM". Default="SA"

Value

None

Author(s)

Florent Bourgeois, [e-mail]

Laboratoire de Genie Chimique, Toulouse, FRANCE (http://www.lgc.cnrs.fr)

References

Bourgeois, F. Teychene, S. and Biscans, B., Applicability of probabilistic nucleation modelling for analysis of microfluidics data, KONA Powder and Particle Journal, 35, 2018.

flbourgeois/nucleation documentation built on May 9, 2019, 2:27 p.m.