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PMID: 41132390 Published · epublish English Journal Article

Computer Vision Helps Experimentally Monitor Mixing Effects in Deep Eutectic Solvents.

ACS sustainable chemistry & engineering ·Vol. 13 ·No. 41 ·2025-10-20 ·页码 17241-17256

Fyfe C, Duncan R, McCabe TJD, Donnachie K, Barrington H, Reid M

Abstract

Deep eutectic solvents (DESs) offer promising sustainable alternatives to petroleum-derived solvents, yet their high viscosities present significant mixing challenges that can impact synthetic outcomes. Here, we demonstrate the application of computer vision as a quantitative, non-invasive tool for monitoring and optimizing mixing in DESs. Using Kineticolor video analysis software, we tracked mixing dynamics across three model DES formulations (ChCl/EG, ChCl/G, ChCl/U) under varying temperatures and vessel geometries. Our results reveal that mixing completion times span from seconds (for MeOH) to over 60 min (for a viscous DES), with temperature elevation from 25 to 60 °C reducing mixing times by up to 10-fold. Computational fluid dynamics (CFD) simulations validate experimental observations, showing severe flow field restriction in narrow vessel geometries with highly viscous DES formulations. We demonstrate the practical implications and value of understanding these mixing phenomena through sodium borohydride-mediated aldehyde reduction. This work demonstrates computer vision and video analysis as an essential method for bridging the gap between sustainability goals and practical synthetic implementation when developing methodologies using DES solvents.

Keywords
camera computational fluid dynamics green chemistry imaging mass transfer mixing reaction optimization sustainable synthesis viscosity
作者与单位
共 6 位作者,点击展开单位 / ORCID
Fyfe Calum
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.
Duncan Rhoda
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.
McCabe Timothy J D ORCID
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.
Donnachie Kristin
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.
Barrington Henry
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.
Reid Marc ORCID
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.
Article Info
Journal
ACS sustainable chemistry & engineering
Abbr.
ACS Sustain Chem Eng
ISSN
2168-0485
Published
2025-10-20
电子出版
2025-00-03
页码
17241-17256
Language
English
Country/Region
United States
NLM ID
101608852
数据资源
figshare
10.6084/m9.figshare.29279894.v2
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