Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/175755
Title: pHbot: self-driven robot for pH adjustment of viscous formulations via physics-informed-ML**
Authors: Chitre, Aniket
Cheng, Jayce
Ahamed, Sarfaraz
Querimit, Robert C. M.
Zhu, Benchuan
Wang, Ke
Wang, Long
Hippalgaonkar, Kedar
Lapkin, Alexei A.
Keywords: Engineering
Issue Date: 2024
Source: Chitre, A., Cheng, J., Ahamed, S., Querimit, R. C. M., Zhu, B., Wang, K., Wang, L., Hippalgaonkar, K. & Lapkin, A. A. (2024). pHbot: self-driven robot for pH adjustment of viscous formulations via physics-informed-ML**. Chemistry-Methods, 4(2), e202300043-. https://dx.doi.org/10.1002/cmtd.202300043
Project: A1898b0043 
CREATE 
Journal: Chemistry-Methods 
Abstract: pH 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.
URI: https://hdl.handle.net/10356/175755
ISSN: 2628-9725
DOI: 10.1002/cmtd.202300043
Schools: School of Materials Science and Engineering 
School of Chemistry, Chemical Engineering and Biotechnology 
Organisations: Institute of Materials Research and Engineering, A*STAR 
Rights: © 2023 The Authors. Chemistry - Methods published by Chemistry Europe and Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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