TCE ForumWhats NewSearchOrders

 

The Chemical Educator

ISSN: 1430-4171 (electronic version)

Table of Contents

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)



The Chemical Educator 1996-2018