화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터)
권호 28권 1호, p.80
발표분야 [주제 1] 계산화학
제목 Computational design of self-assembled Janus colloids
초록 Protein self-assembly is a dynamical process that is heavily influenced by the shape and chemical heterogeneity (patchiness) of the protein surface. Colloidal particles have been used as model systems for studying the importance of form in self-assembly, and specially, dimpled colloidal lock-and-key interactions. The self-assembly of Janus colloids with one attracting patch and the remainder of the particle being repulsive is one of the simplest systems exhibiting complex morphologies due to chemical heterogeneity. A previous study presented a systematic experimental study on this. Unlike the MD simulation done in the paper, we simulated the patch by expressing the patch angle rather than simply expressing it as a ratio. This allows more specific simulations of Janus colloidal particles. Furthermore, improvements in synthesis techniques for producing patchy particles can be employed as building blocks for novel functional materials and in a variety of sectors, including selective molecular recognition, photonics applications, and so on.
저자 김영비, 한정우
소속 Postech
키워드 열역학분자모사(Thermodynamics)
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