Dissipative Particle Dynamics (DPD) is a coarse-grained method to understand the phase formation at a larger length scale, which is not accessible using the classic molecular dynamics simulation. In this project, DPD simulations are to be used to study the phase transition of a mixture of cationic and anionic surfactant in an aqueous solution as a function of total concentration in water and relative ratio of surfactants. Another aspect is to see the remarkable difference in the resultant self-assembled structure based on the bond parameter. The density variation of different groups in the vesicle formed during the process provides insight to the electrostatic interaction in the simulation arising from the extrinsic and intrinsic charge consideration and stability of the phase and tailoring of the vesicle.

Dr. Syed Kamil

Assistant Professor