Proceedings of ESCAPE 35ISSN: 2818-4734
Volume: 4 (2025)
Table of Contents
LAPSE:2025.0455
Published Article
LAPSE:2025.0455
The Smart HPLC Robot: Fully Autonomous Method Development Guided by A Mechanistic Model Framework
Dian Ning Chia, Fanyi Duanmu, Luca Mazzei, Eva Sorensen, Maximilian O. Besenhard
June 27, 2025
Abstract
Developing ultra- or high-performance liquid chromatography (HPLC) methods for analysis or purification requires significant amounts of material and manpower, and typically involves time-consuming iterative lab-based workflows. This work demonstrates in two case studies that an autonomous HPLC platform coupled with a mechanistic model that self-corrects itself by performing parameter estimation can efficiently develop an optimized HPLC method with minimal experiments (i.e., reduced experimental costs and burden) and manual intervention (i.e., reduced manpower). At the same time, this HPLC platform, referred to as Smart HPLC Robot, can deliver a calibrated mechanistic model that provides valuable insights into method robustness.
Keywords
Autonomous, Batch Process, Chromatography, Digital Twin, Genetic Algorithm, Industry 40, Mechanistic Model, Modelling and Simulations, Optimization, Self-driving
Suggested Citation
Chia DN, Duanmu F, Mazzei L, Sorensen E, Besenhard MO. The Smart HPLC Robot: Fully Autonomous Method Development Guided by A Mechanistic Model Framework. Systems and Control Transactions 4:1884-1889 (2025) https://doi.org/10.69997/sct.116643
Author Affiliations
Chia DN: Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom
Duanmu F: Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom
Mazzei L: Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom
Sorensen E: Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom
Besenhard MO: Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom
Journal Name
Systems and Control Transactions
Volume
4
First Page
1884
Last Page
1889
Year
2025
Publication Date
2025-07-01
Version Comments
Original Submission
Other Meta
PII: 1884-1889-1628-SCT-4-2025, Publication Type: Journal Article
Record Map
Published Article

LAPSE:2025.0455
This Record
External Link

https://doi.org/10.69997/sct.116643
Article DOI
Download
Files
Jun 27, 2025
Main Article
License
CC BY-SA 4.0
Meta
Record Statistics
Record Views
823
Version History
[v1] (Original Submission)
Jun 27, 2025
 
Verified by curator on
Jun 27, 2025
This Version Number
v1
Citations
Most Recent
This Version
URL Here
https://psecommunity.org/LAPSE:2025.0455
 
Record Owner
PSE Press
Links to Related Works
Directly Related to This Work
Article DOI
References Cited
  1. Besenhard MO, Tsatse A, Mazzei L, Sorensen E. Recent advances in modelling and control of liquid chromatography. Curr Opin Chem Eng 32:100685 (2021). 10.1016/j.coche.2021.100685 https://doi.org/10.1016/j.coche.2021.100685
  2. Boelrijk J, Ensing B, Forré P, Pirok BWJ. Closed-loop automatic gradient design for liquid chromatography using Bayesian optimization. Anal Chim Acta 1242:340789 (2023). 10.1016/j.aca.2023.340789 https://doi.org/10.1016/j.aca.2023.340789
  3. Tom G, Schmid SP, Baird SG, Cao Y, Darvish K, Hao H, et al. Self-Driving Laboratories for Chemistry and Materials Science. Chem Rev 124(16):9633-732 (2024). 10.1021/acs.chemrev.4c00055 https://doi.org/10.1021/acs.chemrev.4c00055
  4. Dixon TM, Williams J, Besenhard M, Howard RM, MacGregor J, Peach P, et al. Operator-free HPLC automated method development guided by Bayesian optimization. Digit Discov 3(8):1591-601 (2024). 10.1039/D4DD00062E https://doi.org/10.1039/D4DD00062E
  5. Tirapelle M, Besenhard MO, Mazzei L, Zhou J, Hartzell SA, Sorensen E. Towards A Digital Twin for Analytic HPLC. In Texas, US; 2023
(0.61 seconds)