Ionization strengthinformation from MD simulations. Poisson-Boltzmann (PB) method was used in order to ensure that the protonation and de-protonation strengths have been estimated correctly in the above NEMD simulations. This method combined with DPD-MD simulations were used for analyzing the anatomy of the components of emulsification. In the estimation of ionization strength, the artifacts due to multiple bond formation in a head -head interaction were eliminated by constraining the bond angle in the system by standard method using LINCS algorithm . In the aggregation of surfactants in various solvents we found that the DDA forms lateral bonds with the neighboring DDA molecules. It also forms head on bonding with Brij-35 molecule and water molecule.