scholarly journals Optimal Design of Experiments for Liquid–Liquid Equilibria Characterization via Semidefinite Programming

Processes ◽  
2019 ◽  
Vol 7 (11) ◽  
pp. 834 ◽  
Author(s):  
Belmiro P.M. Duarte ◽  
Anthony C. Atkinson ◽  
José F.O. Granjo ◽  
Nuno M.C. Oliveira

Liquid–liquid equilibria (LLE) characterization is a task requiring considerable work and appreciable financial resources. Notable savings in time and effort can be achieved when the experimental plans use the methods of the optimal design of experiments that maximize the information obtained. To achieve this goal, a systematic optimization formulation based on Semidefinite Programming is proposed for finding optimal experimental designs for LLE studies carried out at constant pressure and temperature. The non-random two-liquid (NRTL) model is employed to represent species equilibria in both phases. This model, combined with mass balance relationships, provides a means of computing the sensitivities of the measurements to the parameters. To design the experiment, these sensitivities are calculated for a grid of candidate experiments in which initial mixture compositions are varied. The optimal design is found by maximizing criteria based on the Fisher Information Matrix (FIM). Three optimality criteria (D-, A- and E-optimal) are exemplified. The approach is demonstrated for two ternary systems where different sets of parameters are to be estimated.

Author(s):  
Jun Suzuki

In this paper, we study the quantum-state estimation problem in the framework of optimal design of experiments. We first find the optimal designs about arbitrary qubit models for popular optimality criteria such as [Formula: see text]-, [Formula: see text]-, and [Formula: see text]-optimal designs. We also give the one-parameter family of optimality criteria which includes these criteria. We then extend a classical result in the design problem, the Kiefer–Wolfowitz theorem, to a qubit system showing the [Formula: see text]-optimal design which is equivalent to a certain type of the [Formula: see text]-optimal design. We next compare and analyze several optimal designs based on the efficiency. We explicitly demonstrate that an optimal design for a certain criterion can be highly inefficient for other optimality criteria.


Genetics ◽  
2002 ◽  
Vol 161 (3) ◽  
pp. 1333-1337
Author(s):  
Thomas I Milac ◽  
Frederick R Adler ◽  
Gerald R Smith

Abstract We have determined the marker separations (genetic distances) that maximize the probability, or power, of detecting meiotic recombination deficiency when only a limited number of meiotic progeny can be assayed. We find that the optimal marker separation is as large as 30–100 cM in many cases. Provided the appropriate marker separation is used, small reductions in recombination potential (as little as 50%) can be detected by assaying a single interval in as few as 100 progeny. If recombination is uniformly altered across the genomic region of interest, the same sensitivity can be obtained by assaying multiple independent intervals in correspondingly fewer progeny. A reduction or abolition of crossover interference, with or without a reduction of recombination proficiency, can be detected with similar sensitivity. We present a set of graphs that display the optimal marker separation and the number of meiotic progeny that must be assayed to detect a given recombination deficiency in the presence of various levels of crossover interference. These results will aid the optimal design of experiments to detect meiotic recombination deficiency in any organism.


2015 ◽  
Vol 62 (9) ◽  
pp. 817-825 ◽  
Author(s):  
Saeed Soltanali ◽  
Rouein Halladj ◽  
Alimorad Rashidi ◽  
Mansour Bazmi ◽  
Saeed Khodabakhshi

2018 ◽  
Vol 34 (12) ◽  
pp. 125005 ◽  
Author(s):  
Martin Weiser ◽  
Yvonne Freytag ◽  
Bodo Erdmann ◽  
Michael Hubig ◽  
Gita Mall

10.1596/29656 ◽  
2018 ◽  
Author(s):  
Sarah Baird ◽  
J. Aislinn Bohren ◽  
Craig McIntosh ◽  
Berk Ozler

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