eCite Digital Repository

Methodology for porting retention prediction data from old to new columns and from conventional-scale to miniaturised ion chromatography systems


Ng, BK and Shellie, RA and Dicinoski, GW and Bloomfield, C and Liu, Y and Pohl, CA and Haddad, PR, Methodology for porting retention prediction data from old to new columns and from conventional-scale to miniaturised ion chromatography systems, Journal of Chromatography A, 1218, (32) pp. 5512-5519 . ISSN 0021-9673 (2011) [Refereed Article]

Restricted - Request a copy

Copyright Statement

The definitive version is available at

DOI: doi:10.1016/j.chroma.2011.06.050


Several procedures are available for simulating and optimising separations in ion chromatography (IC), based on the application of retention models to an extensive database of analyte retention times on a wide range of columns. These procedures are subject to errors arising from batch-to-batch variability in the synthesis of stationary phases, or when using a column having a different diameter to that used when the database was acquired originally. Approaches are described in which the retention database can be recalibrated to accommodate changes in the stationary phase (ion-exchange selectivity coefficient and ion-exchange capacity) or in the column diameter which lead to changes in phase ratio. The entire database can be recalibrated for all analytes on a particular column by performing three isocratic separations with two analyte ions. The retention data so obtained are then used to derive a "porting" equation which is employed to generate the required simulated separation. Accurate prediction of retention times is demonstrated for both anions and cations on 2 mm and 0.4 mm diameter columns under elution conditions which consist of up to five sequential isocratic or linear gradient elution steps. The proposed approach gives average errors in retention time prediction of less than 3% and the correlation coefficient was 0.9849 between predicted and observed retention times for 344 data points comprising 33 anionic or cationic analytes, 5 column internal diameters and 8 complex elution profiles.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Analytical chemistry
Research Field:Separation science
Objective Division:Expanding Knowledge
Objective Group:Expanding knowledge
Objective Field:Expanding knowledge in the chemical sciences
UTAS Author:Ng, BK (Dr Boon Ng)
UTAS Author:Shellie, RA (Professor Robert Shellie)
UTAS Author:Dicinoski, GW (Associate Professor Gregory Dicinoski)
UTAS Author:Bloomfield, C (Ms Carrie Bloomfield)
UTAS Author:Haddad, PR (Professor Paul Haddad)
ID Code:72668
Year Published:2011
Funding Support:Australian Research Council (DP0663781)
Web of Science® Times Cited:13
Deposited By:Chemistry
Deposited On:2011-08-30
Last Modified:2018-04-13

Repository Staff Only: item control page