| AQSys {LLSR} | R Documentation |
Merchuk's nonlinear Equation
Description
.
Perform a nonlinear regression fit using any of the several mathematical descriptors implemented in order to calculate the equation's parameters.
Usage
AQSys(dataSET, ...)
## Default S3 method:
AQSys(dataSET, modelName = "merchuk", Order = "xy", ...)
Arguments
dataSET |
- Binodal Experimental data that will be used in the nonlinear fit |
... |
Additional optional arguments. None are used at present. |
modelName |
- Character String specifying the nonlinear empirical equation to fit data. The default method uses Merchuk's equation. Other mathematical descriptors can be listed using AQSysList(). |
Order |
Defines how the data is organized in the Worksheet. Use "xy" whether the first column corresponds to the lower phase fraction and "yx" whether the opposite. |
Details
The function returns functions parameters after fitting experimental data to the equations listed in AQSysList().
Value
A list containing three data.frame variables with all data parsed from the worksheet and parameters calculated through the available mathematical descriptions.
References
MURUGESAN, T.; PERUMALSAMY, M. Liquid-Liquid Equilibria of Poly(ethylene glycol) 2000 + Sodium Citrate + Water at (25, 30, 35, 40, and 45) C. Journal of Chemical & Engineering Data, v. 50, n. 4, p. 1392-1395, 2005/07/01 2005. ISSN 0021-9568. (doi: 10.1021/je050081k)
MERCHUK, J. C.; ANDREWS, B. A.; ASENJO, J. A. Aqueous two-phase systems for protein separation: Studies on phase inversion. Journal of Chromatography B: Biomedical Sciences and Applications, v. 711, n. 1-2, p. 285-293, 1998. ISSN 0378-4347. (doi: 10.1016/s0378-4347(97)00594-x)
TANG, X. et al. The study of phase behavior of aqueous two-phase system containing [Cnmim] BF 4 (n=2, 3, 4)+(NH4)2SO4 + H2O at different temperatures. Fluid Phase Equilibria, v. 383, p. 100-107, 2014. ISSN 0378-3812. (doi: 10.1016/j.fluid.2014.09.029)
GONZALEZ-TELLO, P. et al. Liquid-Liquid Equilibrium in the System Poly(ethylene glycol) + MgSO4 + H2O at 298 K. Journal of Chemical & Engineering Data, v. 41, n. 6, p. 1333-1336, 1996/01/01 1996. ISSN 0021-9568. (doi: 10.1021/je960075b)
CHEN, Y. et al. Liquid-liquid equilibria of aqueous biphasic systems composed of 1-butyl-3-methyl imidazolium tetrafluoroborate+ sucrose/maltose+ water. Journal of Chemical & Engineering Data, v. 55, n. 9, p. 3612-3616, 2010. ISSN 0021-9568. (doi: 10.1021/je100212p)
See Also
Examples
# Populating variable dataSET with binodal data
dataSET <- peg4kslt[ , 1:2]
# Fitting dataSET using Merchuk's function
AQSys(dataSET)