Unravelling anomalous mass and heat transport in miscible liquids

Lead Research Organisation: University of Strathclyde
Department Name: Chemical and Process Engineering

Abstract

The project will give the first ever direct microscopic view into highly localised anomalous pathways of thermodynamic driving forces for solvent-induced phase separation. The microscopic interdiffusion of species when miscible fluids are brought together is complex and poorly understood and yet it plays a key role in controlling critical quality attributes of many high value chemicals, pharmaceuticals and advanced materials. The pathways followed by systems towards their ultimate compositional and thermal equilibrium often lead to surprising events, such as unwanted phase separations or precipitation of unexpected solid forms. The central challenge for the development of genuine fundamental understanding and the discrimination between theories and models in the current literature and those coming through future scientific advances is to capture and quantify the relevant physics directly with spatial and temporal resolution at microscale.

At the intersection between physical sciences disciplines, including soft matter physics, analytical science and data science, we will use novel analytical methodologies to provide a transformative tool to study and understand complex phase separation phenomena. The aim of this proposal is to provide unprecedented insight into the mechanisms of anomalous mass and heat transport by in situ mapping of concentration and temperature, and instantly localising and identifying solid phases formed in non-uniform transient regions. We propose these dynamic maps as a new model-independent data standard for storing and reporting mass and heat transport measurements, replacing the incomplete and often misleading picture provided by commonly reported model-dependent macroscopic diffusion coefficients and heat conductivities.

Publications

10 25 50
 
Description The project developed a new method for the determination of diffusion patterns in miscible liquids at the microscale using Raman microscopy. The concentration maps generated with this method enable tracking individual species during mixing processes while evaluating the interaction between these components. The methodology was applied successfully to two binary liquid mixtures (i.e. ethanol/water and glycine/water) and their corresponding ternary system (i.e. ethanol/water/glycine). In subsequent research, this novel experimental setup and measurement method can be used to establish the microscopic conditions that lead to anomalous mixing phenomena and the occurrence of phase transformations in other processes including the manufacturing of medicines and polymeric membranes.
Exploitation Route The project outcomes will enable more accurate monitoring of the dissolution dynamics between miscible liquids. This, in turn, will lead to a better understanding and control of complex and sometimes unexpected solvent- and temperature-induced phase separation phenomena, which play a crucial role in many industrial, biological and environmental processes. It is expected that physical scientists across multiple disciplines will be stimulated by the new horizons opened by this project towards finding the explanation for these surprising phenomena and generating a new, more accurate generation of diffusive mixing models. In the longer term, the project outcomes will encourage innovative breakthroughs across a wide range of sectors and applications, including the discovery and exquisite control of novel materials and the design of new drug delivery systems and advanced environmental monitoring techniques.
Sectors Agriculture, Food and Drink,Chemicals,Environment,Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology

 
Description Strathclyde Research Studentship Scheme - Student Excellence Awards
Amount £50,079 (GBP)
Organisation University of Strathclyde 
Sector Academic/University
Country United Kingdom
Start 10/2021 
End 09/2024
 
Title Data for New Horizons: Unravelling Anomalous Mass and Heat Transport in Miscible Liquids 
Description This is a dataset generated during the EPSRC New Horizons project "Unravelling Anomalous Mass and Heat Transport in Miscible Liquids". It contains: - Raman spectra and maps collected for binary (water/glycine) and ternary (water/ethanol/glycine) liquid mixtures within a Dolomite Y-Junction microfluidic device using the Horiba XploRA Raman microscope. - Raman spectra collected for various samples using the Ondax THz Raman probe and the Horiba XploRA for comparison. - Optical microscopy images of ethanol/water mixing experiments in a microfluidic device The dataset and a more detailed description are publicly available at https://doi.org/10.15129/e51fe9f3-69d0-4dc8-a710-7a4bb1c88e45 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
Impact This dataset has contributed to the validation of phase-field models for the study of anomalous mass transfer mechanisms in my research group. This work is expected to lead to a journal publication in the coming months. The dataset is currently being expanded by a PhD student in my group to study additional systems, together with the influence of the composition and flow rates of the mixing streams. 
URL https://doi.org/10.15129/e51fe9f3-69d0-4dc8-a710-7a4bb1c88e45
 
Description CMAC Open Day 2022 
Form Of Engagement Activity Participation in an open day or visit at my research institution
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Industry/Business
Results and Impact The work conducted in the project was showcased at the Open days of the EPSRC Continuous Manufacturing and Advanced Crystallisation Future Manufacturing Research Hub where over 50 representatives of global pharmaceutical companies and technology providers were in attendance. Several delegates expressed their interest in the methodology developed in the project and showed their intention to engage with the project further and support future funding applications in this area.
Year(s) Of Engagement Activity 2022