Unraveling the colloidal cohesion mechanism through coarse-grained molecular simulations
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초록
내용
Recent research has increasingly focused on integrating porous nanoparticles with polymers, a promising development in materials science and engineering with significant implications for biomedical applications. Understanding how polymer chains interact with the porous surfaces of nanoparticles is essential for advancing these applications. Specifically, the mechanisms by which polymer chains encapsulate or infiltrate the pores of nanoparticles are crucial for optimizing material performance. However, simulating these mixtures poses complex challenges, requiring models that span multiple length scales. In this study, we introduce an advanced coarse-grained molecular simulation approach to examine the impact of various structural and physical parameters, such as nanoparticle size, surface characteristics, concentration, and polymer molecular weight, on the adhesion properties of these composites when used as wound sealants.