Computer Vision for Kinetic Analysis of Lab- and Process-Scale Mixing Phenomena

Abstract

A software platform for the computer vision-enabled analysis of mixing phenomena of relevance to process scale-up is described. By bringing new and known time-resolved mixing metrics under one platform, hitherto unavailable comparisons of pixelderived mixing metrics are exemplified across non-chemical and chemical processes. The analytical methods described are applicable using any camera and across an appreciable range of reactor scales, from development through to process scale-up. A case study in nucleophilic aromatic substitution run on a 5 L scale in a stirred tank reactor shows how camera and offline concentration analyses can be correlated. In some cases, it can be shown that camera data hold the power to predict reaction progress.

Teaching Old Presumptive Tests New Digital Tricks with Computer Vision for Forensic Applications

“…24 Saito's team video recorded Luminol chemiluminescence phenomena and used ImageJ in order to distinguish blood from ferrate salts. 16 Based on our team's development of video analysis software platform Kineticolor for a range of chemical kinetics problems, 25,26 we hypothesised that more highly time-resolved digital spot testing could reveal characteristic kinetic differences between spot test results that, by-eye, might otherwise be deemed equivalent.…”

“…While ∆E has tended to be used as the default exploratory metric, 25,26 it was important at this early stage to sense-check this colour-agnostic metric versus the more colour-specific metrics output from Kineticolor analysis. In Figure 4, Lightness (L*), as one of three components used to derive ∆E from the CIE-L*a*b* space, decreases with time, consistent with the observed darkening of the solution during the reaction of the methamphetamine solution with the Mandelin reagent.…”

Determining Phase Separation Dynamics with an Automated Image Processing Algorithm

“…This allowed partition coefficients of a third soluble phase to be established. Barrington et al used an imaging approach to establish changes in contrast across an image, and from this infer process diagnostics . While it does not address liquid–liquid separations, it does capture dynamic data.…”

Coaxial Dielectric Spectroscopy as an In-Line Process Analytical Technique for Reaction Monitoring

“…It is therefore unsurprising that in-line monitoring methods have been adopted widely within the academic − and industrial − communities, and have been recognized formally in the FDA’s PAT framework . The convenience of modular, probe-based analytical methods has proven especially enabling, despite their potential impact on mixing dynamics and their susceptibility to fouling . Following the initial time-investment that may be required to develop an analytical model for an in-line techniquefor example by reference to off-line measurements made with an orthogonal methodit can potentially be used to monitor a process ad infinitum; the rapidity with which feedback then becomes available can underpin the implementation of comprehensive process control algorithms.…”

“…Although there are many process analytical tools available, ,,,,− each has its own advantages and disadvantages (see Supporting Information, Table S1), and there is no single technique that can be applied to every reaction system . There thus remains a need for new reaction monitoring tools that are potentially complementary to the mainstream analytical methods, which may be able to add value to (in-line) analysis workflows.…”