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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 HaddadTrends 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 ChemistryVolume
80Pagination
625-635ISSN
0165-9936Department/School
School of Natural SciencesPublisher
Elsevier BVPlace of publication
NetherlandsRights statement
Copyright 2015 Crown CopyrightRepository Status
- Restricted