Flexible star polymer chain adsorption by a flat surface: a molecular dynamics simulation

5th International Conference on Mathematical Modeling in Physical Sciences

物理学;数学

Zenak, Siham^1 ; Guenachi, Aicha^1 ; Sabeur, Sid Ahmed^1

Laboratoire d'Etude Physique des Matériaux, Faculté de Physique, Université d'Oran des Sciences et de la Technologie, BP 1505, El M'naouer Oran

31000, Algeria^1

关键词: Different sizes;    Diffusion experiments;    Flat surfaces;    Flory theory;    Interaction strength;    Molecular dynamics simulations;    Rouse model;    Star polymers;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/738/1/012014/pdf
DOI  :  10.1088/1742-6596/738/1/012014

来源: IOP

【 摘 要 】

In this work, we have studied the adsorption of a single flexible star polymer chain by a flat surface. The molecular dynamics simulation has been validated for the case of a free star polymer chain using the diffusion experiment. The scaling laws found are in agreement with the Flory theory predictions and the Rouse model. For the adsorption, preliminary results were obtained for chains of different sizes N=31 to N=199 and different functionalities (f=3,4,6,8,10). For the case of semi-flexible star polymer chains, further investigation is needed to locate the critical point of adsorption when varying the potential interaction strength between the chain and the surface.