Simulation of spatial thermal gradient gas chromatography

J Leppert, PJ Müller, MD Chopra, LM Blumberg… - … of Chromatography A, 2020 - Elsevier
A model to simulate the gas chromatographic separation in the presence of a spatial thermal
gradient is presented. This model is developed from existing models for the prediction of …

A simple, fast, and accurate thermodynamic‐based approach for transfer and prediction of gas chromatography retention times between columns and instruments Part …

S Hou, KAJM Stevenson… - Journal of separation …, 2018 - Wiley Online Library
The transfer of retention times based on thermodynamic models between columns can aid in
separation optimization and compound identification in gas chromatography. Although …

Thermodynamics-based retention maps to guide column choices for comprehensive multi-dimensional gas chromatography

KAJM Stevenson, LM Blumberg, JJ Harynuk - Analytica Chimica Acta, 2019 - Elsevier
Comprehensive two-dimensional gas chromatography (GC× GC) provides enhanced
separation power over its one-dimensional counterpart–gas chromatography (GC). This …

Modeling approaches for temperature-programmed gas chromatographic retention times under vacuum outlet conditions

M Gaida, FA Franchina, PH Stefanuto… - … of Chromatography A, 2021 - Elsevier
This contribution evaluates the performance of two predictive approaches in calculating
temperature-programmed gas chromatographic retention times under vacuum outlet …

Thermodynamics‐based modelling of gas chromatography separations across column geometries and systems, including the prediction of peak widths

KAJM Stevenson, JJ Harynuk - Journal of separation science, 2019 - Wiley Online Library
Thermodynamics‐based models have been demonstrated to be useful for predicting
retention time and peak widths in gas chromatography and two‐dimensional gas …

Gibbs energy additivity approaches to QSRR in generating gas chromatographic retention time for identification of fatty acid methyl ester

S Pojjanapornpun, K Aryusuk, S Lilitchan… - Analytical and …, 2017 - Springer
The Gibbs energy additivity method was used to correlate the retention time (t R) of common
fatty acid methyl esters (FAMEs) to their chemical structures. The t R of 20 standard FAMEs …

Robust estimation of thermodynamic parameters (ΔH, ΔS and ΔCp) for prediction of retention time in gas chromatography–Part I (Theoretical)

CA Claumann, AW Zibetti, A Bolzan… - … of Chromatography A, 2015 - Elsevier
An approach that is commonly used for calculating the retention time of a compound in GC
departs from the thermodynamic properties ΔH, ΔS and ΔC p of phase change (from mobile …

Mechanistic modeling and CFD simulation of gas chromatography to predict separation processes

JP Ferreira, LG Nandi, A Wüst Zibetti… - Brazilian Journal of …, 2022 - Springer
Gas chromatography (GC) is a frequently applied separation technique. Nevertheless, a
suitable operational setup for reaching separation may require extensive time and …

Development of retention index based simulation for validation of compound identification in GC× GC

P Kakanopas - 2021 - digital.car.chula.ac.th
Comprehensive two-dimensional gas chromatography (GC× GC) is a high-performance
technique for separation, identification and quantification of volatiles and semi-volatiles in …

New Approaches to Thermodynamics-based Predictive Modelling of Gas Chromatography and Comprehensive Two-dimensional Gas Chromatography

KAJM Stevenson - 2019 - era.library.ualberta.ca
Thermodynamics-based predictive models of retention in gas chromatography and
comprehensive two-dimensional gas chromatography have been demonstrated to provide …