Computer-aided optimization

Once the right set of parameters has been identified, computer-aided optimization using modified sequential simplex or central composite design methods can be applied to further hne-tune the separation under investigation, as has been published for the optimization of reverse-phase HPLC [17-20] and chiral separations [21-23]. 

The proposed methodology for computer-aided optimal design in the development of YSZ-based gas sensors comprises three phases. Firstly, the complete mathematical model with distributed temporal and spatial parameters for electrochemical gas sensors is presented as a system of the differential equations in private derivatives of parabolic and hyperbolic types. The complexity of physical and chemical interactions, represented in this model, allows performing a mathematical description of the electrochemical gas sensors toward standardization of the calculating procedures. The complete mathematical model and the algorithm of transfer from the complete... 

BTX benzene-toluene-xylene CAO computer-aided optimization... 

Vol. 27 Computer Aided Optimal Design Structural and Mechanical Systems. Edited by C. A. Mota Soares. XIII, 1029 pages. 1987. 

Matysik, G. Markowski, W. Soczewihski, E. Polak, B. Computer-aided optimization of stepwise gradient profiles in thin-layer chromatography. Chromatographia 1992, 34, 303-307. 

Markowski, W. Computer-aided optimization of gradient multiple development thin-layer chromatography. Part n. Multistage development. J. Chromatogr. 1993, 653, 283-289. 

Matyska, M. Soczewinski, E. Computer-aided optimization of liquid solid systems in TLC. Comparison of selectivity of various silica-diluent + modifier systems. J. Planar Chromatogr. 1990, 3, 264-268. 

Matysik, G., and Soczewinski, E. (1996). Computer-aided optimization of stepwise gradient TLC of plant extracts. J. Planar Chromatogr.—Mod. TLC 9 404-412. Matyska, M., and Soczewinski, E. (1993). Optimization of chromatographic systems in TLC by graphical method and with a computer program. Chem. Anal. (Warsaw) 38 555-563. 

Nurok, D. (1988). Computer aided optimization of separation in planar chromatography. 

Soczewinski, E., and Swieboda, R. (1995). Computer-aided optimization of stepwise gradient thin layer chromatography. Acta Chromatogr. 5 25-33. 

Nurok has described systematic methods for the computer aided optimization of 2-D separations (149). De Spiegeleer et al. reported a strategy for selection of solvent systems for 2-D HPTLC separations based on absolute values of the correlation matrix elements, and illustrated the applicability to 14 local anesthetics (150). 

This step encompasses procedures that are usually performed within the scope of an optimization. In doing so, mostly the interactions between the sample and the stationary phase are changed. The intention is a change of the retention factor k (mostly enhancement), but ideally also of the separation factor Ct. Otherwise, at constant interaction strength ( chemistry constant and therefore k and a as well), one attempts to enhance the plate number or in the case of a miniaturization to prevent dilution or to enhance the relative mass sensitivity. Using a trial-and-error procedure, one needs 1-2 weeks. Using a systematic procedure, aided perhaps by an optimization program, the time can be reduced measurably see Part 4 for chapters on computer-aided optimization. 

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