| Summary: | 碩士 === 國立清華大學 === 化學工程學系 === 103 === Dissipative Particle Dynamics Simulations are used to investigate the morphological transition of X-shaped rod-coil polyphilic molecules in solution. These X-shaped molecules consist of a rod-like core, with a polar group at each end and two lateral chains. The influences of changing the two lateral chains relative miscibility, lateral chains length and solvent concentration in solution on the morphologies are discussed.
The results show that changing the two lateral chains length and the solvent concentration can effectively control the morphologies. And the hierarchical structure-within-structure will be formed by changing relative miscibility of the two laterals chains. At solvent concentration φ_S=10%, the morphologies are almost network structures which are formed by main chain of X-shaped molecules. Interestingly, perfect morphologies formed at specific lateral chains length, such as hexagonal column network structure. At solvent concentration φ_S=30% and 50%, the X-shaped molecules self-assemble into vary kinds of network structures, and the network density can be easily controlled by changing the length of two lateral chains and the concentration. At solvent concentration φ_S=90%, the molecules will self-assemble into micelle hierarchical structure-within-structure while the two lateral chains are in immiscibility condition, that kind of structures is very attractive in biomaterials. Since the structure of molecules model is complex and special, there are much novel morphology are formed. We hope these results can be applied in biomaterials and optoelectronics materials.
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