Structure and dynamics of chemically active ring polymers: swelling to collapse
文献信息
Namita Jain, Snigdha Thakur
The ring structures are common in many synthetic or natural systems and experience both local and long-range forces by chemical sensing. This work is an effort to investigate the structural and dynamical properties of a chemically active ring in an explicit solvent bath utilizing hybrid molecular dynamics (MD) and multiparticle collision dynamics (MPCD) simulation techniques. We show that by tuning the chemical properties of the ring, it can be converted from a chemo-attractant to a chemo-repellent, thereby changing the steady state to be either collapsed or swelled as compared to its passive limit. We quantify these observations by comparing the scaling laws, local structures and the dynamics of active and passive rings. Furthermore, we show the impact of varying numbers of active sites by calculating the contact probability of the collapse state that highlights diverse structures. We also analyze the dynamics of the ring by finding the relaxation time and the mean square displacement of the centre of mass. A faster relaxation with enhanced diffusion is observed for the active rings.
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Soft Matter
Soft Matter provides a unique forum for the communication of significant advances in interdisciplinary soft matter research. There is a particular focus on the interface between chemistry, physics, materials science, biology and chemical engineering. Research may report new soft materials or phenomena, encompass their design, synthesis, and use in new applications; or provide fundamental insight and observations on their behaviour. Experimental, theoretical and computational soft matter approaches are encouraged. The scope of Soft Matter covers the following. Soft matter assemblies, including colloids, granular matter, liquid crystals, gels & networks, polymers, hybrid materials, active matter and further examples Soft nanotechnology, soft robotics and devices Synthesis, self-assembly and directed assembly Biological aspects of soft matter including proteins, biopolymers, cells and tissues Surfaces, interfaces and interactions Phase behaviour, coacervation and rheological behaviour Sustainable soft materials including recycling, circular economy and end of life Mechanistic insights and modelling
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