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The Chemical Educator
ISSN: 1430-4171 (electronic version)
Abstract Volume 23
(2018) pp 216-220
Sequential Simplex Optimization with Excel in Simulated HPLC Separations
Gregorio Cruz
Private Laboratory, 06001, Badajoz, Spain, gcruzvillalon@gmail.com
Received May 8, 2018. Accepted August 13, 2018.
Published: 22 October 2018
Abstract. A
spreadsheet application for chromatographic optimization using the sequential
Simplex algorithm is described. The Excel application simulates a
chromatographic optimization where the composition of a mobile phase calculated
by the Simplex method is evaluated with a previously defined chromatographic
optimization function (COF) of known maximum value.
Key Words: Computers in Chemistry; analytical chemistry; HPLC
(*) Corresponding author. (E-mail: gcruzvillalon@gmail.com)
Article in PDF format (356 KB) HTML format
Supporting Materials:
Three Excel files are described in the Supporting Information: the first is a chromatographic simulation in which the points are evaluated automatically using the COF function. The second is a simplex application for real chromatographic experiments; the COF values are calculated from the chromatogram and the mobile phase composition is manually entered. The third file contains the calculation of the COF function and a procedure to find the maximum COF value using scroll bars. Instructions for the use of these spreadsheets are given in the Supporting Material. (1320 KB)
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