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Computer-assisted simulation and optimisation of retention in ion chromatography

journal contribution
posted on 2023-05-19, 02:55 authored by Ng, BK, Tan, TTY, Robert ShellieRobert Shellie, Gregory Dicinoski, Paul HaddadPaul Haddad
Trends in the use of in silico approaches for the prediction of analyte retention and optimisation of separations in ion chromatography (IC) over the past decade are reviewed. The applicability of gradient elution and the use of complex eluent profiles containing both isocratic and gradient eluent steps are discussed in terms of their applicability for efficient and fast separations. Experimental optimisation of both gradients and complex elution profiles involves a large input in time; thus, in silico optimisation is a highly attractive option. Consequently, the core of this review focuses on insightful modelling of retention time and peak width for simulating isocratic, gradient and multistep gradient separations in IC. Optimisation strategies, current trends in IC modelling as well as challenges and prospects for future development are also discussed.

History

Publication title

TrAC - Trends in Analytical Chemistry

Volume

80

Pagination

625-635

ISSN

0165-9936

Department/School

School of Natural Sciences

Publisher

Elsevier BV

Place of publication

Netherlands

Rights statement

Copyright 2015 Crown Copyright

Repository Status

  • Restricted

Socio-economic Objectives

Expanding knowledge in the chemical sciences

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