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

Description Usage Arguments Value Author(s) References

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

1
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, [email protected]

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.