Automated gradient liquid chromatography (LC) is a powerful technique for isolating targeted products with high yield and purity. Beyond the scope of small molecules, the versatility of this technique was successfully applied to separate disperse polymeric samples into a library of discrete species. However, to date separation conditions (e.g., mobile phase concentration gradient) were determined through insights from thin-layered chromatography (TLC), trial-and- error, and in-flight gradient alterations. To address this major challenge, particularly important for new polymers, we have developed a finite element model of LC that simulates gradient elution and predicts an optimum mobile phase condition.

Finite element modelling of the chromatographic separation of oligomers and polymers

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.