Computer Vision Helps Experimentally Monitor Mixing Effects in Deep Eutectic Solvents [machine-readable supporting information]

Machine-readable data outputs from results discussed in the paper. <br>Paper 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-contact 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 ves-sel geometries. Our results reveal that mixing completion times span from seconds (for MeOH) to over 60 minutes (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.

本论文所讨论的实验结果对应的机器可读数据输出。<br>论文摘要：低共熔溶剂（Deep eutectic solvents, DESs）是极具潜力的石油基溶剂可持续替代方案，但其高粘度会带来显著的混合难题，进而影响合成反应结果。本研究证实，可将计算机视觉作为一种定量、非接触式工具，用于监测并优化低共熔溶剂中的混合过程。研究借助Kineticolor视频分析软件，对三种模型低共熔溶剂配方（ChCl/EG、ChCl/G、ChCl/U）在不同温度与容器几何构型下的混合动力学过程进行了追踪。结果显示，混合完成时间跨度从数秒（对应甲醇MeOH体系）到超过60分钟（对应高粘度低共熔溶剂体系）不等；将温度从25℃升高至60℃，可使混合时间最多缩短至原来的1/10。计算流体力学（Computational Fluid Dynamics, CFD）模拟验证了实验观测结果，表明在狭窄容器几何构型中，高粘度低共熔溶剂的流场会受到严重限制。本研究通过硼氢化钠介导的醛还原反应，证实了理解此类混合现象的实际意义与应用价值。本研究表明，在开发使用低共熔溶剂的合成方法时，计算机视觉与视频分析技术是连接可持续发展目标与实际合成应用的关键手段。