T-, D- and c-optimum designs for BET and GAB adsorption isotherms

Rodríguez-Aragón, Licesio J.; López–Fidalgo, Jesús

doi:10.1016/j.chemolab.2007.05.004

Cited by 12 publications

(3 citation statements)

References 17 publications

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“…T-optimal designs are used to discriminate between two models that have been selected a priori. Theoretical development of T-optimal designs for discrimination between two models has been considered (Dette and Titoff, 2009;Ponce de Leon and Atkinson, 1991;Otsu, 2008;Wiens, 2009), as has the theoretical development of T-optimal designs for discrimination between several models , the use of T-optimal designs in compound designs with D-optimal designs (Atkinson, 2008;McGree et al, 2008), as well as a few practical applications of T-optimal designs (Atkinson et al, 1998;Rodriguez-Aragon and Lopez-Fidalgo, 2007;Lopez-Fidalgo et al, 2008).…”

Section: T-optimal Designsmentioning

confidence: 99%

Designing experiments to differentiate between adsorption isotherms using T-optimal designs

Munson-McGee

Mannarswamy

Andersen

2010

Journal of Food Engineering

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Section: T-optimal Designsmentioning

confidence: 99%

Designing experiments to differentiate between adsorption isotherms using T-optimal designs

Munson-McGee

Mannarswamy

Andersen

2010

Journal of Food Engineering

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“…to be in a uniform, geometric or harmonic progression (see e.g. [11,13,14]). The uniform law is likely the most common in practice [4].…”

Section: Suboptimal Sequence Designsmentioning

confidence: 99%

Experimental designs for the Adair model

López–Fidalgo

Rodríguez–Hernández

2014

Chemometrics and Intelligent Laboratory Systems

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The Adair equation is used to model biological macro-molecule reactions. This equation relates the saturation rate to the free ligand concentration. But, the latter is not a variable completely under the control of the experimenter. The ligand is a random variable depending on an initial ligand added by the experimenter, which can be designed, but the dependence of the saturation rate on the initial ligand has not been considered in the literature. In this paper a transformed model based on the Adair model of first order (monomer) is derived in order to obtain a proper model that depends on the initial ligand. This model will allow proper fitting and optimal designs using the initial ligand. It will be called the transformed Adair model (TAM). Optimal designs as well as seven-point quasi-optimal designs forced to follow a harmonic, geometric or uniform progression, are computed. The parameters are estimated and compared for simulated data from these designs. A sensitivity analysis against the choice of nominal values of the parameters is also performed for the TAM. The analytic version of the transformed model is only possible for the first class model. But the good efficiencies of the optimal designs obtained directly from the monomer model for fitting the TAM justify doing something similar for the second order model (dimer). Designs were computed numerically in this case.

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“…Sometimes they are analytically derived, e.g. as a solution of differential equations, as happens with the majority of pharmacokinetics models [25,30,29]. But, this issue is more severe in Experimental Design.…”

Section: Different Approaches To the Problemmentioning

confidence: 99%