pHbot: Self‐Driven Robot for pH Adjustment of Viscous Formulations via Physics‐informed‐ML**

Author:

Chitre Aniket123,Cheng Jayce3,Ahamed Sarfaraz34,Querimit Robert C. M.35,Zhu Benchuan6,Wang Ke6,Wang Long6,Hippalgaonkar Kedar34,Lapkin Alexei A.12ORCID

Affiliation:

1. Department of Chemical Engineering and Biotechnology University of Cambridge Philippa Fawcett Drive Cambridge CB3 0AS UK

2. Cambridge Centre for Advanced Research and Education in Singapore CARES Ltd. 1 CREATE Way CREATE Tower #05-05 Singapore 138602 Singapore

3. Institute of Materials Research and Engineering Agency for Science Technology and Research (A✶STAR) Singapore 138634 Singapore

4. Department of Materials Science and Engineering Nanyang Technological University Singapore 117575 Singapore

5. School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University Singapore 637459 Singapore

6. BASF Advanced Chemicals Co. Ltd. No. 300, Jiang Xin Sha Road Pudong Shanghai 200137 China

Abstract

AbstractpH adjustment is crucial for many industrial products, yet this step is typically performed by manual trial‐and‐error. A particularly industrially relevant yet challenging titration is that of adjusting viscous liquid formulations using weak, polyprotic titrants (usually citric acid). Handling of viscous, non‐Newtonian formulations, with such polyprotic acids preferred for their chelation and buffering effects make a robotic solution challenging. We present a self‐driving pH robot integrated with physics‐informed learning; this hybrid physical‐ML model enables automated titration with weak‐strong acid/base pairs. To deal with the high viscosities of these formulations, we developed specific automated mixing and cleaning protocols. We hit the target pH within two to five iterations over 250 distinct formulations in lab‐scale small‐batch (~10 mL and 12 samples) titrations. In the interest of scaling up to match industrial processes, we also demonstrate that our hybrid algorithm works at ~25× scale‐up. The method is general, and we open‐source our algorithm and designs.

Funder

BASF

Publisher

Wiley

Subject

Materials Science (miscellaneous)

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