Enabling manufacturing of Functional Nanomaterials using SynBio
Lead Research Organisation:
University of Edinburgh
Department Name: Sch of Engineering
Abstract
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Organisations
Publications
Ferreiro-Rangel C
(2018)
Cluster formation in binary fluids with competing short-range and long-range interactions
in Molecular Physics
Sweatman MB
(2022)
Molecular Dynamics Investigation of Clustering in Aqueous Glycine Solutions.
in The journal of physical chemistry. B
Afify ND
(2022)
Molecular Dynamics Investigation of Giant Clustering in Small-Molecule Solutions: The Case of Aqueous PEHA.
in The journal of physical chemistry. B
| Description | This project had many interlinked aims. For the work at Edinburgh, our aim was to understand how precursor clusters or droplets in small-molecule solutions formed, with a focus on polyamine solutions and glycine solutions. These clusters are unusual because normally we expect them to either disperse or undergo bulk phase separation. Instead, giant limit-size clusters appear to be thermodynamically stable. Regarding glycine solutions, we found, using molecular simulations, that glycine clusters are unlikely to be formed directly from glycine, and therefore the microdroplets observed to form spontaneously in experiments likely form from impurities instead. However, since these droplets seem to reappear even after removal, it seems likely they are formed from a reaction product of glycine in water, most likely diketopiperazine (which is known to be a good gel former). Regarding the polyamine solutions, we found the microdroplets seen in experiments are likely formed from polyamine-anion complexes, i.e. they are a kind of complex coacervate. Without any added anions, polyamines are found to disperse readily in aqueous solution. This is useful, since it reveals how these clusters can be tuned for specific applications, i.e. by tuning the type of added anion by adding a suitable acid or salt. |
| Exploitation Route | Insight into the mechanism of giant cluster (microdroplet) formation in precursor solutions revealed by our research is useful, since it allows tuning of these clusters (size, concentration, composition etc) for specific applications. |
| Sectors | Agriculture, Food and Drink,Chemicals,Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
| Description | web-based simulator for use by the general public |
| Form Of Engagement Activity | Engagement focused website, blog or social media channel |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Public/other audiences |
| Results and Impact | A web-based simulator for illustrating mixing in viscous fluids was developed. A web interface allows the use to adjust various settings including the initial flow field, temperature, viscosity etc, and observe coloured fluid components mixing. |
| Year(s) Of Engagement Activity | 2020 |
| URL | https://www.timm-krueger.de/synbim-simulator/ |