pH-Induced evolution of surface patterns in micelles assembled from dirhamnolipids: dissipative particle dynamics simulation

• DOI: 10.1039/c8cp00751a
• Publication Date: 2018-03-07T03:04:05Z
• Authors: Jianchang Xu; Shuangqing Sun; Zhikun Wang; Shiyuan Peng; Songqing Hu; Lijuan Zhang
• Keywords: Dissipative particle dynamics; Particle (ecology); Dynamics

Dissipative particle dynamics (DPD) simulation is used to study the effect of pH on morphological transition in micelles assembled from dirhamnolipids (diRLs), and analyze pH-driven mechanism influence factors micellar surface patterns. At < 4.0, various multilayer structures with homogeneous patterns are observed, whereas diRLs can self-assemble into novel anisotropic morphologies phase-separated at > 7.4, such as patchy spherical micelles, rod-like helical a lamellar phase The change pattern results diverse molecular arrangement course assembly due deprotonation carboxyl groups. Further studies show that factors, structure, solvent selectivity intramolecular interaction, closely associated changes topological structures. In detail, decreasing critical packing parameter rhamnolipids, increasing solution polarity weakening compatibility between rhamnose rings alkyl chains all beneficial formation Remarkably, wider variety (randomly patterns) be further obtained different mentioned above. This work expected extend applications advanced functional materials like drug delivery, optoelectronics nanofiltration membranes.