A Surface-Site Interaction Approach to the Prediction of Shampoo Rheology

Lead Research Organisation: University of Cambridge
Department Name: Chemistry


The design, scale-up and manufacture of stable emulsions is an integral element of the development of Unilever's consumer products across Hair Care, Fabric Conditioners and Foods. Product development usually relies on working within a known formulation space of a few known materials, meaning that stable formulations can be achieved by using an empirical approach to formulation. However, when attempting to introduce new materials for product superiority, differentiation, cost or environmental benefits, it becomes apparent that no reliable models exist to predict suitable emulsion partners. This leads to considerable delays and added costs in the development of new products. We aim to modify a model that uses the electrostatic potential surfaces of molecules to quantify solution thermodynamics, and apply this model to emulsion formation and stability. The ability to successfully model emulsion formation and stability will allow us to work more efficiently in the formulation space in which we currently operate. More importantly, it will allow us to effectively explore and screen the suitability of new materials - expanding our formulation space and enabling us to innovate faster.


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Studentship Projects

Project Reference Relationship Related To Start End Student Name
EP/P510440/1 01/10/2016 30/09/2021
1800667 Studentship EP/P510440/1 01/10/2016 30/09/2020 Ennio Lavagnini
Description I have been able to link the Surface-Site interaction Method with the simulation used to predict shampoo rheology.
The simulations ran on several neutral speciesshown a good prediction in important parameters for shampoo development.
Such as the Critical Micelles Concentration (CMC), the aggregation number and the micelles shape.
New tools and approached for the analysis has been developed.
Exploitation Route It has been recently found a promising approch to account for other important effects, like the presence of salts in solution.
Sectors Chemicals,Environment,Pharmaceuticals and Medical Biotechnology

Description This method provides an useful tool to speed up the parametrisation procedure required to describe the correct behaviour f these compound in solution. This allows DPD simulation to be used has a first screening method for evaluating the behaviour of new systems.
Sector Agriculture, Food and Drink,Chemicals,Pharmaceuticals and Medical Biotechnology
Impact Types Economic