(587f) Dynamics of Micelle and Liquid Crystal Dissolution
AIChE Annual Meeting
2010 Annual Meeting
Engineering Sciences and Fundamentals
Computational Studies of Self-Assembly
Thursday, November 11, 2010 - 10:18am to 10:39am
The dynamic response of self-assembled systems is important in formulation and product design. For example, micelles hosting an active component in their core may be destroyed or transformed when the solvent properties surrounding them suddenly change (as in the case of a step change in pH). Another important example relevant to the manufacture of formulated products is the process of dissolution of lyotropic liquid crystals, where the preparation process plays an important role in the properties of the final product. We have used DPD simulations to study the deformation of surfactant self-assembled structures upon a step change in the solvent properties and when they are placed in contact with a solvent rich phase in order to follow the dissolution process. We often observed that rearrangement of surfactants within a micelle while complete destruction of the initial aggregates is infrequent when the solvent is suddenly changed from hydrophilic to hydrophobic. Similarly, in the dissolution process we often observed that rearrangement of the initial structures, such as the deformation of a lamellar structure into long worm like micelles. Nevertheless, splitting of these worm like micelles into spherical aggregates was rarely observed.